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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 (1,280)
Carboxylic acid amides (1,020)
Carboxylic acid esters (996)
Tetracarboxylic acids and derivatives (374)
Tricarboxylic acids and derivatives (271)
Carboxylic acid salts (231)
Carboxylic acid imides (196)
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Carboxylic acids (43)
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Hexacarboxylic acids and derivatives (5)
Peroxycarboxylic acids and derivatives (1)

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2

Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, 99%, pure

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

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PubChem CID 6049
CAS 60-00-4
Molecular Weight (g/mol) 292.24
ChEBI CHEBI:42191
MDL Number MFCD00003541
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
IUPAC Name 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
3

Propionic acid, 99%, pure

CAS: 79-09-4 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O

PubChem CID 1032
CAS 79-09-4
ChEBI CHEBI:30768
SMILES CCC(=O)O
Synonym propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
IUPAC Name propanoic acid
InChI Key XBDQKXXYIPTUBI-UHFFFAOYSA-N
4

1-Naphthylacetic acid, 95%

CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N Synonym: 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop PubChem CID: 6862 ChEBI: CHEBI:32918 IUPAC Name: 2-naphthalen-1-ylacetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1

PubChem CID 6862
CAS 86-87-3
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:32918
MDL Number MFCD00004046
SMILES OC(=O)CC1=C2C=CC=CC2=CC=C1
Synonym 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop
IUPAC Name 2-naphthalen-1-ylacetic acid
InChI Key PRPINYUDVPFIRX-UHFFFAOYSA-N
Molecular Formula C12H10O2
5

N,N-Dimethylacetamide, 99%

CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O

PubChem CID 31374
CAS 127-19-5
Molecular Weight (g/mol) 87.12
ChEBI CHEBI:84254
MDL Number MFCD00008686
SMILES CN(C)C(C)=O
Synonym dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine
IUPAC Name N,N-dimethylacetamide
InChI Key FXHOOIRPVKKKFG-UHFFFAOYSA-N
Molecular Formula C4H9NO
6
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Ethylenediaminetetraacetic acid disodium salt dihydrate, 99+%

CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O

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PubChem CID 44120005
CAS 6381-92-6
Molecular Weight (g/mol) 372.24
MDL Number MFCD00150037,MFCD00003541
SMILES O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
Synonym edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs
IUPAC Name disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
InChI Key OVBJJZOQPCKUOR-UHFFFAOYSA-L
Molecular Formula C10H18N2Na2O10
7
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Nicotinamide, 99%

CAS: 98-92-0 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006395 InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N Synonym: nicotinamide,niacinamide,3-pyridinecarboxamide,vitamin pp,nicotinic acid amide,papulex,aminicotin,amixicotyn,nicobion,nicotylamide PubChem CID: 936 ChEBI: CHEBI:17154 IUPAC Name: pyridine-3-carboxamide SMILES: C1=CC(=CN=C1)C(=O)N

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PubChem CID 936
CAS 98-92-0
Molecular Weight (g/mol) 122.127
ChEBI CHEBI:17154
MDL Number MFCD00006395
SMILES C1=CC(=CN=C1)C(=O)N
Synonym nicotinamide,niacinamide,3-pyridinecarboxamide,vitamin pp,nicotinic acid amide,papulex,aminicotin,amixicotyn,nicobion,nicotylamide
IUPAC Name pyridine-3-carboxamide
InChI Key DFPAKSUCGFBDDF-UHFFFAOYSA-N
Molecular Formula C6H6N2O
8
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Gluconic acid, sodium salt, 98%

CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.137 MDL Number: MFCD00064210 InChI Key: UPMFZISCCZSDND-JJKGCWMISA-M Synonym: sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t PubChem CID: 23672301 ChEBI: CHEBI:84997 IUPAC Name: sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]

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PubChem CID 23672301
CAS 527-07-1
Molecular Weight (g/mol) 218.137
ChEBI CHEBI:84997
MDL Number MFCD00064210
SMILES C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]
Synonym sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t
IUPAC Name sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
InChI Key UPMFZISCCZSDND-JJKGCWMISA-M
Molecular Formula C6H11NaO7
9

Sodium benzoate, 99%

CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M Synonym: sodium benzoate,benzoic acid, sodium salt,benzoic acid sodium salt,sobenate,antimol,benzoate sodium,benzoate of soda,benzoate, sodium,natrium benzoicum,caswell no. 746 PubChem CID: 517055 SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1

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PubChem CID 517055
CAS 532-32-1
Molecular Weight (g/mol) 144.11
MDL Number MFCD00012463
SMILES [Na+].[O-]C(=O)C1=CC=CC=C1
Synonym sodium benzoate,benzoic acid, sodium salt,benzoic acid sodium salt,sobenate,antimol,benzoate sodium,benzoate of soda,benzoate, sodium,natrium benzoicum,caswell no. 746
InChI Key WXMKPNITSTVMEF-UHFFFAOYSA-M
Molecular Formula C7H5NaO2
10

Sodium oxalate, 99%

CAS: 62-76-0 Molecular Formula: C2Na2O4 Molecular Weight (g/mol): 134.00 MDL Number: MFCD00012465 InChI Key: ZNCPFRVNHGOPAG-UHFFFAOYSA-L Synonym: sodium oxalate,disodium oxalate,natriumoxalat,ethanedioic acid, disodium salt,oxalic acid, disodium salt,natriumoxalat german,stavelan sodny czech,oxalic acid disodium salt,unii-7u0v68lt9x,ethanedioic acid disodium salt PubChem CID: 6125 IUPAC Name: disodium;oxalate SMILES: [Na+].[Na+].[O-]C(=O)C([O-])=O

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PubChem CID 6125
CAS 62-76-0
Molecular Weight (g/mol) 134.00
MDL Number MFCD00012465
SMILES [Na+].[Na+].[O-]C(=O)C([O-])=O
Synonym sodium oxalate,disodium oxalate,natriumoxalat,ethanedioic acid, disodium salt,oxalic acid, disodium salt,natriumoxalat german,stavelan sodny czech,oxalic acid disodium salt,unii-7u0v68lt9x,ethanedioic acid disodium salt
IUPAC Name disodium;oxalate
InChI Key ZNCPFRVNHGOPAG-UHFFFAOYSA-L
Molecular Formula C2Na2O4
11

Sodium DL-lactate, 60% w/w aq. soln.

CAS: 72-17-3 Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 MDL Number: MFCD00065400 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYSA-M Synonym: sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt PubChem CID: 23666456 ChEBI: CHEBI:75228 IUPAC Name: sodium;2-hydroxypropanoate SMILES: CC(C(=O)[O-])O.[Na+]

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PubChem CID 23666456
CAS 72-17-3
Molecular Weight (g/mol) 112.06
ChEBI CHEBI:75228
MDL Number MFCD00065400
SMILES CC(C(=O)[O-])O.[Na+]
Synonym sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt
IUPAC Name sodium;2-hydroxypropanoate
InChI Key NGSFWBMYFKHRBD-UHFFFAOYSA-M
Molecular Formula C3H5NaO3
12

Diethylenetriaminepentaacetic acid, 98+%

CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 MDL Number: MFCD00004289 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

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PubChem CID 3053
CAS 67-43-6
Molecular Weight (g/mol) 393.349
ChEBI CHEBI:35739
MDL Number MFCD00004289
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid
IUPAC Name 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI Key QPCDCPDFJACHGM-UHFFFAOYSA-N
Molecular Formula C14H23N3O10
13

L-Lactic acid, anhydrous, 98%

CAS: 79-33-4 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00064266 InChI Key: JVTAAEKCZFNVCJ-REOHCLBHSA-N Synonym: l-lactic acid,l-+-lactic acid,s-2-hydroxypropanoic acid,s-lactic acid,sarcolactic acid,s-2-hydroxypropionic acid,2s-2-hydroxypropanoic acid,+-lactic acid,espiritin,tisulac PubChem CID: 107689 ChEBI: CHEBI:422 IUPAC Name: (2S)-2-hydroxypropanoic acid SMILES: CC(C(=O)O)O

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PubChem CID 107689
CAS 79-33-4
Molecular Weight (g/mol) 90.078
ChEBI CHEBI:422
MDL Number MFCD00064266
SMILES CC(C(=O)O)O
Synonym l-lactic acid,l-+-lactic acid,s-2-hydroxypropanoic acid,s-lactic acid,sarcolactic acid,s-2-hydroxypropionic acid,2s-2-hydroxypropanoic acid,+-lactic acid,espiritin,tisulac
IUPAC Name (2S)-2-hydroxypropanoic acid
InChI Key JVTAAEKCZFNVCJ-REOHCLBHSA-N
Molecular Formula C3H6O3
14

Calcium propionate, 98+%

CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium;propanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O

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PubChem CID 19999
CAS 4075-81-4
Molecular Weight (g/mol) 186.22
ChEBI CHEBI:81716
MDL Number MFCD00167354
SMILES [Ca++].CCC([O-])=O.CCC([O-])=O
Synonym calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907
IUPAC Name calcium;propanoate
InChI Key BCZXFFBUYPCTSJ-UHFFFAOYSA-L
Molecular Formula C6H10CaO4
15

Trisodium citrate, anhydrous, 99%

CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K Synonym: sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous PubChem CID: 6224 ChEBI: CHEBI:53258 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

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PubChem CID 6224
CAS 68-04-2
Molecular Weight (g/mol) 258.07
ChEBI CHEBI:53258
MDL Number MFCD00012462
SMILES [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Synonym sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous
IUPAC Name trisodium;2-hydroxypropane-1,2,3-tricarboxylate
InChI Key HRXKRNGNAMMEHJ-UHFFFAOYSA-K
Molecular Formula C6H5Na3O7