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Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.
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1 – 15 of 32 results
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

5-Thien-2-yl-1h-pyrazole-3-carboxylic acid, Thermo Scientific™

CAS: 182415-24-3 Molecular Formula: C8H6N2O2S Molecular Weight (g/mol): 194.208 MDL Number: MFCD05170066 InChI Key: DUDBNCNNJMOLCC-UHFFFAOYSA-N Synonym: 5-thiophen-2-yl-1h-pyrazole-3-carboxylic acid,5-thiophen-2-yl-2h-pyrazole-3-carboxylic acid,3-2-thienyl-1h-pyrazole-5-carboxylic acid,5-thien-2-yl-1h-pyrazole-3-carboxylic acid,5-2-thienyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-2-thienyl,5-2-thienyl-3-pyrazolecarboxylic acid,3-thiophen-2-yl-1h-pyrazole-5-carboxylic acid,5-2-thienyl pyrazole-3-carboxylic acid PubChem CID: 818268 IUPAC Name: 5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid SMILES: C1=CSC(=C1)C2=CC(=NN2)C(=O)O

PubChem CID 818268
CAS 182415-24-3
Molecular Weight (g/mol) 194.208
MDL Number MFCD05170066
SMILES C1=CSC(=C1)C2=CC(=NN2)C(=O)O
Synonym 5-thiophen-2-yl-1h-pyrazole-3-carboxylic acid,5-thiophen-2-yl-2h-pyrazole-3-carboxylic acid,3-2-thienyl-1h-pyrazole-5-carboxylic acid,5-thien-2-yl-1h-pyrazole-3-carboxylic acid,5-2-thienyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-2-thienyl,5-2-thienyl-3-pyrazolecarboxylic acid,3-thiophen-2-yl-1h-pyrazole-5-carboxylic acid,5-2-thienyl pyrazole-3-carboxylic acid
IUPAC Name 5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid
InChI Key DUDBNCNNJMOLCC-UHFFFAOYSA-N
Molecular Formula C8H6N2O2S
3

2-Methyl-2h-indazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 34252-44-3 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 InChI Key: ABRISPFTOZIXMP-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl PubChem CID: 7060537 IUPAC Name: 2-methylindazole-3-carboxylic acid SMILES: CN1C(=C2C=CC=CC2=N1)C(=O)O

PubChem CID 7060537
CAS 34252-44-3
Molecular Weight (g/mol) 176.175
SMILES CN1C(=C2C=CC=CC2=N1)C(=O)O
Synonym 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl
IUPAC Name 2-methylindazole-3-carboxylic acid
InChI Key ABRISPFTOZIXMP-UHFFFAOYSA-N
Molecular Formula C9H8N2O2
5

1-Benzothiophene-7-carboxylic acid, 97%, Thermo Scientific™

CAS: 10134-98-2 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.205 InChI Key: LJPSRTWIAXVPIS-UHFFFAOYSA-N Synonym: benzo b thiophene-7-carboxylic acid,benzo b thiophene-7-carboxylicacid,7-carboxybenzo b thiophene,1-benzo b thiophene-7-carboxylic acid PubChem CID: 14235073 IUPAC Name: 1-benzothiophene-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)SC=C2

PubChem CID 14235073
CAS 10134-98-2
Molecular Weight (g/mol) 178.205
SMILES C1=CC2=C(C(=C1)C(=O)O)SC=C2
Synonym benzo b thiophene-7-carboxylic acid,benzo b thiophene-7-carboxylicacid,7-carboxybenzo b thiophene,1-benzo b thiophene-7-carboxylic acid
IUPAC Name 1-benzothiophene-7-carboxylic acid
InChI Key LJPSRTWIAXVPIS-UHFFFAOYSA-N
Molecular Formula C9H6O2S
6

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

CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1

PubChem CID 72899
CAS 1477-50-5
Molecular Weight (g/mol) 161.16
MDL Number MFCD00005611
SMILES OC(=O)C1=CC2=CC=CC=C2N1
Synonym indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole
IUPAC Name 1H-indole-2-carboxylic acid
InChI Key HCUARRIEZVDMPT-UHFFFAOYSA-N
Molecular Formula C9H7NO2
7

Ethyl 5,5-dimethyl-2,4-dioxohexanoate, 97%, Thermo Scientific™

CAS: 13395-36-3 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 InChI Key: NIMKIMUBJFWPTD-UHFFFAOYSA-N Synonym: ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate PubChem CID: 83403 IUPAC Name: ethyl 5,5-dimethyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)(C)C

PubChem CID 83403
CAS 13395-36-3
Molecular Weight (g/mol) 200.234
SMILES CCOC(=O)C(=O)CC(=O)C(C)(C)C
Synonym ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate
IUPAC Name ethyl 5,5-dimethyl-2,4-dioxohexanoate
InChI Key NIMKIMUBJFWPTD-UHFFFAOYSA-N
Molecular Formula C10H16O4
8

1-Methyl-1H-pyrazole-3-carboxylic acid, 95%, Thermo Scientific™

CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methylpyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O

PubChem CID 573176
CAS 25016-20-0
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:74738
MDL Number MFCD00464254
SMILES CN1C=CC(=N1)C(O)=O
Synonym 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid
IUPAC Name 1-methylpyrazole-3-carboxylic acid
InChI Key YBFIKNNFQIBIQZ-UHFFFAOYSA-N
Molecular Formula C5H6N2O2
9

1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid, ≥95%, Thermo Scientific™

CAS: 175277-09-5 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD00084917 InChI Key: JZPMLZWJUMATOQ-UHFFFAOYSA-N Synonym: 1-tert-butyl-3-methyl-1h-pyrazole-5-carboxylic acid,2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid,1-tert-butyl-3-methylpyrazole-5-carboxylic acid,maybridge1_008627,buttpark 9218-70,2-tert-butyl-5-methyl-3-pyrazolecarboxylic acid,1-tert-butyl-5-carboxy-3-methyl-1h-pyrazole,1-tert-butyl-3-methyl-1h-pyrazole-5-carboxylic acid PubChem CID: 2744573 IUPAC Name: 2-tert-butyl-5-methylpyrazole-3-carboxylic acid SMILES: CC1=NN(C(=C1)C(=O)O)C(C)(C)C

PubChem CID 2744573
CAS 175277-09-5
Molecular Weight (g/mol) 182.223
MDL Number MFCD00084917
SMILES CC1=NN(C(=C1)C(=O)O)C(C)(C)C
Synonym 1-tert-butyl-3-methyl-1h-pyrazole-5-carboxylic acid,2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid,1-tert-butyl-3-methylpyrazole-5-carboxylic acid,maybridge1_008627,buttpark 9218-70,2-tert-butyl-5-methyl-3-pyrazolecarboxylic acid,1-tert-butyl-5-carboxy-3-methyl-1h-pyrazole,1-tert-butyl-3-methyl-1h-pyrazole-5-carboxylic acid
IUPAC Name 2-tert-butyl-5-methylpyrazole-3-carboxylic acid
InChI Key JZPMLZWJUMATOQ-UHFFFAOYSA-N
Molecular Formula C9H14N2O2
10

1-Benzothiophene-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 2060-64-2 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.21 MDL Number: MFCD04974042 InChI Key: SNBYTKLWZRHESA-UHFFFAOYSA-N Synonym: benzo b thiophene-5-carboxylic acid,buttpark 98\04-76,pubchem20599,5-carboxybenzo b thiophene,benzothiophene-5-carboxylic acid,benzo b thiophene-5-carboxylicacid,1-benzo b thiophene-5-carboxylic acid PubChem CID: 2795444 IUPAC Name: 1-benzothiophene-5-carboxylic acid SMILES: OC(=O)C1=CC=C2SC=CC2=C1

PubChem CID 2795444
CAS 2060-64-2
Molecular Weight (g/mol) 178.21
MDL Number MFCD04974042
SMILES OC(=O)C1=CC=C2SC=CC2=C1
Synonym benzo b thiophene-5-carboxylic acid,buttpark 98\04-76,pubchem20599,5-carboxybenzo b thiophene,benzothiophene-5-carboxylic acid,benzo b thiophene-5-carboxylicacid,1-benzo b thiophene-5-carboxylic acid
IUPAC Name 1-benzothiophene-5-carboxylic acid
InChI Key SNBYTKLWZRHESA-UHFFFAOYSA-N
Molecular Formula C9H6O2S
11

6-Quinoxalinecarboxylic acid, 95%, Thermo Scientific™

CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O

PubChem CID 674813
CAS 6925-00-4
Molecular Weight (g/mol) 174.159
SMILES C1=CC2=NC=CN=C2C=C1C(=O)O
Synonym 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid
IUPAC Name quinoxaline-6-carboxylic acid
InChI Key JGQDBVXRYDEWGM-UHFFFAOYSA-N
Molecular Formula C9H6N2O2
12

3-Methylbut-2-enyl formate, Thermo Scientific™

CAS: 68480-28-4 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00036614 InChI Key: ZCROFVOAWLRGFY-UHFFFAOYSA-N Synonym: prenyl formate,2-buten-1-ol, 3-methyl-, formate,unii-77xfk1mol6,2-buten-1-ol, 3-methyl-, 1-formate,3-methylbut-2-en-1-yl formate,77xfk1mol6,formic acid, 3-methyl-2-butenyl ester,prenylformiat,3-methyl but-2-enyl formate,3-methyl-2-butenyl formate # PubChem CID: 110373 SMILES: CC(C)=CCOC=O

PubChem CID 110373
CAS 68480-28-4
Molecular Weight (g/mol) 114.14
MDL Number MFCD00036614
SMILES CC(C)=CCOC=O
Synonym prenyl formate,2-buten-1-ol, 3-methyl-, formate,unii-77xfk1mol6,2-buten-1-ol, 3-methyl-, 1-formate,3-methylbut-2-en-1-yl formate,77xfk1mol6,formic acid, 3-methyl-2-butenyl ester,prenylformiat,3-methyl but-2-enyl formate,3-methyl-2-butenyl formate #
InChI Key ZCROFVOAWLRGFY-UHFFFAOYSA-N
Molecular Formula C6H10O2
13

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

CAS: 10199-53-8 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.21 MDL Number: MFCD08271933 InChI Key: ZDUDGEACIDDEPL-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-phenyl,1h-pyrazole-3-carboxylic acid, 1-methyl-5-phenyl,3-carboxy-1-methyl-5-phenyl-1h-pyrazole,1-methyl-5-phenyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-1h-pyrazol-5-yl benzene,1-methyl-5-phenyl-1h-3-pyrazolecarboxylic acid PubChem CID: 7537619 IUPAC Name: 1-methyl-5-phenylpyrazole-3-carboxylic acid SMILES: CN1N=C(C=C1C1=CC=CC=C1)C(O)=O

PubChem CID 7537619
CAS 10199-53-8
Molecular Weight (g/mol) 202.21
MDL Number MFCD08271933
SMILES CN1N=C(C=C1C1=CC=CC=C1)C(O)=O
Synonym 1-methyl-5-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-phenyl,1h-pyrazole-3-carboxylic acid, 1-methyl-5-phenyl,3-carboxy-1-methyl-5-phenyl-1h-pyrazole,1-methyl-5-phenyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-1h-pyrazol-5-yl benzene,1-methyl-5-phenyl-1h-3-pyrazolecarboxylic acid
IUPAC Name 1-methyl-5-phenylpyrazole-3-carboxylic acid
InChI Key ZDUDGEACIDDEPL-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
14

2,3-Dimethyl-quinoxaline-6-carboxylic acid, 97%, Thermo Scientific™

CAS: 17635-26-6 Molecular Formula: C11H9N2O2 Molecular Weight (g/mol): 201.21 MDL Number: MFCD02575516 InChI Key: RCACNAWRFYUKLC-UHFFFAOYSA-M Synonym: 2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl PubChem CID: 236268 SMILES: CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O

PubChem CID 236268
CAS 17635-26-6
Molecular Weight (g/mol) 201.21
MDL Number MFCD02575516
SMILES CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O
Synonym 2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl
InChI Key RCACNAWRFYUKLC-UHFFFAOYSA-M
Molecular Formula C11H9N2O2
15

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