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Carboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to an organic functional group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from carboxylic acids.
Monocarboxylic acids and derivatives (77)
Carboxylic acid amides (36)
Carboxylic acid esters (34)
Carboxylic acid hydrazides (10)
Carboxylic acid imides (7)

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1

1H-Imidazole-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O

PubChem CID 574321
CAS 16042-25-4
Molecular Weight (g/mol) 112.088
SMILES C1=CN=C(N1)C(=O)O
Synonym 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole
IUPAC Name 1H-imidazole-2-carboxylic acid
InChI Key KYWMCFOWDYFYLV-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
2

methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride, Thermo Scientific™

CAS: 180258-45-1 Molecular Formula: C7H11ClN2O2 Molecular Weight (g/mol): 190.63 MDL Number: MFCD01318761 InChI Key: HEOKCJUUKIPIMM-UHFFFAOYSA-N Synonym: methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride PubChem CID: 2794656 SMILES: Cl.COC(=O)C1=CC(N)=CN1C

PubChem CID 2794656
CAS 180258-45-1
Molecular Weight (g/mol) 190.63
MDL Number MFCD01318761
SMILES Cl.COC(=O)C1=CC(N)=CN1C
Synonym methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride
InChI Key HEOKCJUUKIPIMM-UHFFFAOYSA-N
Molecular Formula C7H11ClN2O2
3

Methyle4-methoxythiophene-3-carboxylate, 97%, Thermo Scientific™

CAS: 65369-22-4 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.198 MDL Number: MFCD00067995 InChI Key: LQIVVUILGDRRHE-UHFFFAOYSA-N Synonym: methyl 4-methoxy-3-thiophenecarboxylate,4-methoxy-thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylic acid, 4-methoxy-, methyl ester,maybridge1_004625,ksc495s3h,methyl 4-methoxythiophene-3-arboxylate,3-methoxythiophene-4-carboxylic acid methyl ester,3-thiophenecarboxylicacid,4-methoxy-,methyl ester,4-methoxy-3-thiophenecarboxylic acid methyl ester,3-thiophenecarboxylicacid, 4-methoxy-, methyl ester PubChem CID: 2778377 IUPAC Name: methyl 4-methoxythiophene-3-carboxylate SMILES: COC1=CSC=C1C(=O)OC

PubChem CID 2778377
CAS 65369-22-4
Molecular Weight (g/mol) 172.198
MDL Number MFCD00067995
SMILES COC1=CSC=C1C(=O)OC
Synonym methyl 4-methoxy-3-thiophenecarboxylate,4-methoxy-thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylic acid, 4-methoxy-, methyl ester,maybridge1_004625,ksc495s3h,methyl 4-methoxythiophene-3-arboxylate,3-methoxythiophene-4-carboxylic acid methyl ester,3-thiophenecarboxylicacid,4-methoxy-,methyl ester,4-methoxy-3-thiophenecarboxylic acid methyl ester,3-thiophenecarboxylicacid, 4-methoxy-, methyl ester
IUPAC Name methyl 4-methoxythiophene-3-carboxylate
InChI Key LQIVVUILGDRRHE-UHFFFAOYSA-N
Molecular Formula C7H8O3S
5

1,3-Diazaspiro[4.5]decane-2,4-dione, 97%, Thermo Scientific™

CAS: 702-62-5 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00022404 InChI Key: NERNEXMEYQFFHU-UHFFFAOYSA-N Synonym: 1,3-diazaspiro 4.5 decane-2,4-dione,5,5-pentamethylenehydantoin,hydantoin, pentamethylene,5,5'-cyclohexanespirohydantoin,5,5-pentamethylenespirohydantoin,hydantoin, 5,5-pentamethylene,cyclohexanespiro-5'-hydantoin,spiro cyclohexane-1,5'-hydantoin,2,4-diazaspiro 4.5 decane-1,3-dione,cyclohexane-spiro-5-hydantoin PubChem CID: 12799 IUPAC Name: 1,3-diazaspiro[4.5]decane-2,4-dione SMILES: C1CCC2(CC1)C(=O)NC(=O)N2

PubChem CID 12799
CAS 702-62-5
Molecular Weight (g/mol) 168.196
MDL Number MFCD00022404
SMILES C1CCC2(CC1)C(=O)NC(=O)N2
Synonym 1,3-diazaspiro 4.5 decane-2,4-dione,5,5-pentamethylenehydantoin,hydantoin, pentamethylene,5,5'-cyclohexanespirohydantoin,5,5-pentamethylenespirohydantoin,hydantoin, 5,5-pentamethylene,cyclohexanespiro-5'-hydantoin,spiro cyclohexane-1,5'-hydantoin,2,4-diazaspiro 4.5 decane-1,3-dione,cyclohexane-spiro-5-hydantoin
IUPAC Name 1,3-diazaspiro[4.5]decane-2,4-dione
InChI Key NERNEXMEYQFFHU-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
6

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O

PubChem CID 587721
CAS 5744-56-9
Molecular Weight (g/mol) 140.14
MDL Number MFCD00159636
SMILES CN1N=C(C)C=C1C(O)=O
Synonym 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl
IUPAC Name 2,5-dimethylpyrazole-3-carboxylic acid
InChI Key QRWZFUBHOQWUGH-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
7

5-Amino-1-methyl-1H-pyrazole-4-carboxamide, Thermo Scientific™

CAS: 18213-75-7 Molecular Formula: C5H8N4O Molecular Weight (g/mol): 140.146 MDL Number: MFCD00111808 InChI Key: JGSQVTVXGXOSCH-UHFFFAOYSA-N PubChem CID: 265696 IUPAC Name: 5-amino-1-methylpyrazole-4-carboxamide SMILES: CN1C(=C(C=N1)C(=O)N)N

PubChem CID 265696
CAS 18213-75-7
Molecular Weight (g/mol) 140.146
MDL Number MFCD00111808
SMILES CN1C(=C(C=N1)C(=O)N)N
IUPAC Name 5-amino-1-methylpyrazole-4-carboxamide
InChI Key JGSQVTVXGXOSCH-UHFFFAOYSA-N
Molecular Formula C5H8N4O
8

Spiro-(1,3-dioxolane-2,3'indolin)-2'-one, 97%, Thermo Scientific™

CAS: 6714-68-7 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00173689 InChI Key: PRMHWSVVQZVDGR-UHFFFAOYSA-N Synonym: spiro 1,3-dioxolane-2,3'-indol-2' 1'h-one,spiro-1,3-dioxolane-2,3'indolin-2'-one,spiro 1,3 dioxolane-2,3'-indolin-2'-one,spiro 1,3-dioxolane-2,3'-3h indol-2' 1'h-one,1'h-spiro 1,3-dioxolane-2,3'-indole-2'-one,spiro 1,3-dioxolane-2,3'-indoline-7-one,1'h-spiro 1,3-dioxolane-2,3'-indol-2'-one,maybridge1_007498,chembl6816 PubChem CID: 281156 IUPAC Name: spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one SMILES: C1COC2(O1)C3=CC=CC=C3NC2=O

PubChem CID 281156
CAS 6714-68-7
Molecular Weight (g/mol) 191.186
MDL Number MFCD00173689
SMILES C1COC2(O1)C3=CC=CC=C3NC2=O
Synonym spiro 1,3-dioxolane-2,3'-indol-2' 1'h-one,spiro-1,3-dioxolane-2,3'indolin-2'-one,spiro 1,3 dioxolane-2,3'-indolin-2'-one,spiro 1,3-dioxolane-2,3'-3h indol-2' 1'h-one,1'h-spiro 1,3-dioxolane-2,3'-indole-2'-one,spiro 1,3-dioxolane-2,3'-indoline-7-one,1'h-spiro 1,3-dioxolane-2,3'-indol-2'-one,maybridge1_007498,chembl6816
IUPAC Name spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
InChI Key PRMHWSVVQZVDGR-UHFFFAOYSA-N
Molecular Formula C10H9NO3
10

Ethyl 3-(2-thienyl)-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 121195-03-7 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.262 MDL Number: MFCD07772880 InChI Key: NTCRDZSJYGZRIE-UHFFFAOYSA-N Synonym: ethyl 5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-thiophen-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-2-thienyl pyrazole-3-carboxylate,ethyl 5-thiophen-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-2-thienyl-1h-pyrazole-5-carboxylate,ethyl 5-thiophen-2-yl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-2-thienyl-, ethyl ester,1h-pyrazole-3-carboxylicacid, 5-2-thienyl-, ethyl ester,acmc-20mpcx,maybridge1_008811 PubChem CID: 2736478 IUPAC Name: ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(=C1)C2=CC=CS2

PubChem CID 2736478
CAS 121195-03-7
Molecular Weight (g/mol) 222.262
MDL Number MFCD07772880
SMILES CCOC(=O)C1=NNC(=C1)C2=CC=CS2
Synonym ethyl 5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-thiophen-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-2-thienyl pyrazole-3-carboxylate,ethyl 5-thiophen-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-2-thienyl-1h-pyrazole-5-carboxylate,ethyl 5-thiophen-2-yl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-2-thienyl-, ethyl ester,1h-pyrazole-3-carboxylicacid, 5-2-thienyl-, ethyl ester,acmc-20mpcx,maybridge1_008811
IUPAC Name ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate
InChI Key NTCRDZSJYGZRIE-UHFFFAOYSA-N
Molecular Formula C10H10N2O2S
11

3-Phenyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 1134-49-2 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD01248821,MFCD05170017 InChI Key: QBPUOAJBMXXBNU-UHFFFAOYSA-N Synonym: 5-phenyl-1h-pyrazole-3-carboxylic acid,5-phenyl-2h-pyrazole-3-carboxylic acid,3-phenylpyrazole-5-carboxylic acid,pyrazole-5-carboxylic acid, 3-phenyl,1h-pyrazole-3-carboxylic acid, 5-phenyl,5-phenyl-1h-pyrazole-3-carboxylicacid,pyrazole-3-carboxylic acid, 5-phenyl,1h-pyrazole-3-carboxylicacid, 5-phenyl,1h-pyrazole-5-carboxylicacid, 3-phenyl,tos-bb-0266 PubChem CID: 121025 IUPAC Name: 3-phenyl-1H-pyrazole-5-carboxylic acid SMILES: OC(=O)C1=CC(=NN1)C1=CC=CC=C1

PubChem CID 121025
CAS 1134-49-2
Molecular Weight (g/mol) 188.19
MDL Number MFCD01248821,MFCD05170017
SMILES OC(=O)C1=CC(=NN1)C1=CC=CC=C1
Synonym 5-phenyl-1h-pyrazole-3-carboxylic acid,5-phenyl-2h-pyrazole-3-carboxylic acid,3-phenylpyrazole-5-carboxylic acid,pyrazole-5-carboxylic acid, 3-phenyl,1h-pyrazole-3-carboxylic acid, 5-phenyl,5-phenyl-1h-pyrazole-3-carboxylicacid,pyrazole-3-carboxylic acid, 5-phenyl,1h-pyrazole-3-carboxylicacid, 5-phenyl,1h-pyrazole-5-carboxylicacid, 3-phenyl,tos-bb-0266
IUPAC Name 3-phenyl-1H-pyrazole-5-carboxylic acid
InChI Key QBPUOAJBMXXBNU-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
12

2-Chloro-6-methylnicotinamide, ≥95%, Thermo Scientific™

CAS: 54957-84-5 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.596 MDL Number: MFCD00173783 InChI Key: QFRWKKWOCPTEKS-UHFFFAOYSA-N Synonym: 2-chloro-6-methylnicotinamide,3-pyridinecarboxamide,2-chloro-6-methyl,2-chloro-6-methyl-3-pyridinecarboxamide,2-chloro-6-methylincotinamide,6-methyl-2-chloronicotinamide PubChem CID: 2799581 IUPAC Name: 2-chloro-6-methylpyridine-3-carboxamide SMILES: CC1=NC(=C(C=C1)C(=O)N)Cl

PubChem CID 2799581
CAS 54957-84-5
Molecular Weight (g/mol) 170.596
MDL Number MFCD00173783
SMILES CC1=NC(=C(C=C1)C(=O)N)Cl
Synonym 2-chloro-6-methylnicotinamide,3-pyridinecarboxamide,2-chloro-6-methyl,2-chloro-6-methyl-3-pyridinecarboxamide,2-chloro-6-methylincotinamide,6-methyl-2-chloronicotinamide
IUPAC Name 2-chloro-6-methylpyridine-3-carboxamide
InChI Key QFRWKKWOCPTEKS-UHFFFAOYSA-N
Molecular Formula C7H7ClN2O
14

1,5-Dimethyl-1H-pyrazole-3-carboxylic acid, 95+%, Thermo Scientific™

CAS: 5744-59-2 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00085040 InChI Key: PXRXGHUTKHXUGF-UHFFFAOYSA-N Synonym: 1,5-dimethyl-1h-pyrazole-3-carboxylic acid,1,5-dimethyl-1h-pyrazole-3-carboxylicacid,1,5-dimethyl-3-pyrazolecarboxylic acid,1h-pyrazole-3-carboxylic acid, 1,5-dimethyl,1,5-dimethyl-1h-pyrazole-3-carboxylic,acmc-209lyb,pyrazole-3-carboxylic acid, 1,5-dimethyl,1h-pyrazole-3-carboxylicacid, 1,5-dimethyl,1,5-dimethyl-1h-pyrazole-3-carboxylic acid # PubChem CID: 587757 SMILES: CN1N=C(C=C1C)C(O)=O

PubChem CID 587757
CAS 5744-59-2
Molecular Weight (g/mol) 140.14
MDL Number MFCD00085040
SMILES CN1N=C(C=C1C)C(O)=O
Synonym 1,5-dimethyl-1h-pyrazole-3-carboxylic acid,1,5-dimethyl-1h-pyrazole-3-carboxylicacid,1,5-dimethyl-3-pyrazolecarboxylic acid,1h-pyrazole-3-carboxylic acid, 1,5-dimethyl,1,5-dimethyl-1h-pyrazole-3-carboxylic,acmc-209lyb,pyrazole-3-carboxylic acid, 1,5-dimethyl,1h-pyrazole-3-carboxylicacid, 1,5-dimethyl,1,5-dimethyl-1h-pyrazole-3-carboxylic acid #
InChI Key PXRXGHUTKHXUGF-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
15

Methyle1H-benzimidazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 26663-77-4 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD03407310 InChI Key: WJHHIVYNOVTVGY-UHFFFAOYSA-N Synonym: methyl benzimidazole-5-carboxylate,methyl 1h-benzimidazole-5-carboxylate,methyl 1h-benzo d imidazole-5-carboxylate,methyl 1h-1,3-benzodiazole-5-carboxylate,1h-benzimidazole-5-carboxylicacidmethylester,1h-benzimidazole-5-carboxylic acid methyl ester,methyl 1h-benzo d imidazole-6-carboxylate,benzimidazole-5-carboxylic acid methyl ester,1h-benzoimidazole-5-carboxylic acid methyl ester,1h-benzimidazole-5-carboxylic acid, methyl ester PubChem CID: 2779733 IUPAC Name: methyl 3H-benzimidazole-5-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)N=CN2

PubChem CID 2779733
CAS 26663-77-4
Molecular Weight (g/mol) 176.175
MDL Number MFCD03407310
SMILES COC(=O)C1=CC2=C(C=C1)N=CN2
Synonym methyl benzimidazole-5-carboxylate,methyl 1h-benzimidazole-5-carboxylate,methyl 1h-benzo d imidazole-5-carboxylate,methyl 1h-1,3-benzodiazole-5-carboxylate,1h-benzimidazole-5-carboxylicacidmethylester,1h-benzimidazole-5-carboxylic acid methyl ester,methyl 1h-benzo d imidazole-6-carboxylate,benzimidazole-5-carboxylic acid methyl ester,1h-benzoimidazole-5-carboxylic acid methyl ester,1h-benzimidazole-5-carboxylic acid, methyl ester
IUPAC Name methyl 3H-benzimidazole-5-carboxylate
InChI Key WJHHIVYNOVTVGY-UHFFFAOYSA-N
Molecular Formula C9H8N2O2