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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Propionic Acid (Certified ACS), Fisher Chemical

CAS: 79-09-4 Formule moléculaire: C3H6O2 Poids moléculaire (g/mol): 74.079 Numéro MDL: MFCD00002756 Clé InChI: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonyme: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin CID PubChem: 1032 ChEBI: CHEBI:30768 Nom IUPAC: propanoic acid SMILES: CCC(=O)O

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Poids moléculaire (g/mol)	74.079
Synonyme	propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
Numéro MDL	MFCD00002756
CAS	79-09-4
CID PubChem	1032
ChEBI	CHEBI:30768
Nom IUPAC	propanoic acid
Clé InChI	XBDQKXXYIPTUBI-UHFFFAOYSA-N
SMILES	CCC(=O)O
Formule moléculaire	C3H6O2

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n-Butyl Acetate (Reagent), Fisher Chemical™

CAS: 123-86-4 Formule moléculaire: C6H12O2 Poids moléculaire (g/mol): 116.16 Numéro MDL: MFCD00009445 Clé InChI: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonyme: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle CID PubChem: 31272 ChEBI: CHEBI:31328 Nom IUPAC: butyl acetate SMILES: CCCCOC(C)=O

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Poids moléculaire (g/mol)	116.16
Synonyme	n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
Numéro MDL	MFCD00009445
CAS	123-86-4
CID PubChem	31272
ChEBI	CHEBI:31328
Nom IUPAC	butyl acetate
Clé InChI	DKPFZGUDAPQIHT-UHFFFAOYSA-N
SMILES	CCCCOC(C)=O
Formule moléculaire	C6H12O2

2-Methylcyclopropanecarboxylic acid, cis + trans, 96%

CAS: 29555-02-0 Formule moléculaire: C5H7O2 Poids moléculaire (g/mol): 99.11 Numéro MDL: MFCD00001293 Clé InChI: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonyme: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl CID PubChem: 99873 Nom IUPAC: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O

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Poids moléculaire (g/mol)	99.11
Synonyme	2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl
Numéro MDL	MFCD00001293
CAS	29555-02-0
CID PubChem	99873
Nom IUPAC	2-methylcyclopropane-1-carboxylic acid
Clé InChI	AYEGPMGNMOIHDL-IUYQGCFVSA-M
SMILES	C[C@H]1C[C@H]1C([O-])=O
Formule moléculaire	C5H7O2

2-Methylbutyric acid, 98%

CAS: 116-53-0 Formule moléculaire: C5H10O2 Poids moléculaire (g/mol): 102.133 Numéro MDL: MFCD00002669 Clé InChI: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonyme: 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl CID PubChem: 8314 ChEBI: CHEBI:37070 Nom IUPAC: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O

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Poids moléculaire (g/mol)	102.133
Synonyme	2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl
Numéro MDL	MFCD00002669
CAS	116-53-0
CID PubChem	8314
ChEBI	CHEBI:37070
Nom IUPAC	2-methylbutanoic acid
Clé InChI	WLAMNBDJUVNPJU-UHFFFAOYSA-N
SMILES	CCC(C)C(=O)O
Formule moléculaire	C5H10O2

Syringic acid, 97%

CAS: 530-57-4 Formule moléculaire: C9H10O5 Poids moléculaire (g/mol): 198.17 Numéro MDL: MFCD00002552 Clé InChI: JMSVCTWVEWCHDZ-UHFFFAOYSA-N Synonyme: syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid CID PubChem: 10742 ChEBI: CHEBI:68329 Nom IUPAC: 4-hydroxy-3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1O)C(O)=O

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Poids moléculaire (g/mol)	198.17
Synonyme	syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid
Numéro MDL	MFCD00002552
CAS	530-57-4
CID PubChem	10742
ChEBI	CHEBI:68329
Nom IUPAC	4-hydroxy-3,5-dimethoxybenzoic acid
Clé InChI	JMSVCTWVEWCHDZ-UHFFFAOYSA-N
SMILES	COC1=CC(=CC(OC)=C1O)C(O)=O
Formule moléculaire	C9H10O5

Ethyl formate, 98+%, Extra Dry, AcroSeal™

CAS: 109-94-4 Formule moléculaire: C3H6O2 Poids moléculaire (g/mol): 74.08 Numéro MDL: MFCD00003294 Clé InChI: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonyme: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat CID PubChem: 8025 ChEBI: CHEBI:52342 Nom IUPAC: ethyl formate SMILES: CCOC=O

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Poids moléculaire (g/mol)	74.08
Synonyme	areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat
Numéro MDL	MFCD00003294
CAS	109-94-4
CID PubChem	8025
ChEBI	CHEBI:52342
Nom IUPAC	ethyl formate
Clé InChI	WBJINCZRORDGAQ-UHFFFAOYSA-N
SMILES	CCOC=O
Formule moléculaire	C3H6O2

3-(4-Bromophenyl)propionic acid, 98%, Thermo Scientific Chemicals

CAS: 1643-30-7 Formule moléculaire: C9H9BrO2 Poids moléculaire (g/mol): 229.073 Numéro MDL: MFCD01310793 Clé InChI: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonyme: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm CID PubChem: 2735609 Nom IUPAC: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br

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Poids moléculaire (g/mol)	229.073
Synonyme	3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm
Numéro MDL	MFCD01310793
CAS	1643-30-7
CID PubChem	2735609
Nom IUPAC	3-(4-bromophenyl)propanoic acid
Clé InChI	NCSTWHYWOVZDOC-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1CCC(=O)O)Br
Formule moléculaire	C9H9BrO2

trans-4-Methylcyclohexanecarboxylic acid, 98%

CAS: 13064-83-0 Formule moléculaire: C8H14O2 Poids moléculaire (g/mol): 142.20 Numéro MDL: MFCD00074943,MFCD00074909,MFCD20617670 Clé InChI: QTDXSEZXAPHVBI-UHFFFAOYSA-N Synonyme: trans-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,4-methyl-1-cyclohexanecarboxylic acid,cis-4-methylcyclohexanecarboxylic acid,unii-70f0i2amtv,unii-m7dsk28350,trans-4-methyl-1-cyclohexanecarboxylic acid,trans-4-methyl hexahydrobenzoic acid,trans-4-methylcyclohexane carboxylic acid,70f0i2amtv CID PubChem: 20330 Nom IUPAC: 4-methylcyclohexane-1-carboxylic acid SMILES: CC1CCC(CC1)C(O)=O

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Poids moléculaire (g/mol)	142.20
Synonyme	trans-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,4-methyl-1-cyclohexanecarboxylic acid,cis-4-methylcyclohexanecarboxylic acid,unii-70f0i2amtv,unii-m7dsk28350,trans-4-methyl-1-cyclohexanecarboxylic acid,trans-4-methyl hexahydrobenzoic acid,trans-4-methylcyclohexane carboxylic acid,70f0i2amtv
Numéro MDL	MFCD00074943,MFCD00074909,MFCD20617670
CAS	13064-83-0
CID PubChem	20330
Nom IUPAC	4-methylcyclohexane-1-carboxylic acid
Clé InChI	QTDXSEZXAPHVBI-UHFFFAOYSA-N
SMILES	CC1CCC(CC1)C(O)=O
Formule moléculaire	C8H14O2

2-Cyclopentene-1-acetic acid, tech. 90%, remainder mainly 3-cyclopentene-1-acetic acid

CAS: 13668-61-6 Formule moléculaire: C7H10O2 Poids moléculaire (g/mol): 126.155 Numéro MDL: MFCD00001400 Clé InChI: NNRZTJAACCRFRV-UHFFFAOYSA-N Synonyme: 2-cyclopentene-1-acetic acid,2-cyclopent-2-en-1-yl acetic acid,cyclopent-2-enylacetic acid,2-cyclopenten-1-ylacetic acid,cyclopent-2-en-1-ylacetic acid,cyclopentene-3-acetic acid,2-cyclopentene-1-aceticacid,acmc-1c47k,2-cyclopent-2-enylacetic acid,cyclopent-2-ene-1-acetic acid CID PubChem: 96216 Nom IUPAC: 2-cyclopent-2-en-1-ylacetic acid SMILES: C1CC(C=C1)CC(=O)O

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Poids moléculaire (g/mol)	126.155
Synonyme	2-cyclopentene-1-acetic acid,2-cyclopent-2-en-1-yl acetic acid,cyclopent-2-enylacetic acid,2-cyclopenten-1-ylacetic acid,cyclopent-2-en-1-ylacetic acid,cyclopentene-3-acetic acid,2-cyclopentene-1-aceticacid,acmc-1c47k,2-cyclopent-2-enylacetic acid,cyclopent-2-ene-1-acetic acid
Numéro MDL	MFCD00001400
CAS	13668-61-6
CID PubChem	96216
Nom IUPAC	2-cyclopent-2-en-1-ylacetic acid
Clé InChI	NNRZTJAACCRFRV-UHFFFAOYSA-N
SMILES	C1CC(C=C1)CC(=O)O
Formule moléculaire	C7H10O2

1-Phenylcyclopropanecarboxylic acid, 97%

CAS: 6120-95-2 Formule moléculaire: C10H10O2 Poids moléculaire (g/mol): 162.188 Numéro MDL: MFCD00001288 Clé InChI: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonyme: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid CID PubChem: 80206 Nom IUPAC: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O

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Poids moléculaire (g/mol)	162.188
Synonyme	1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid
Numéro MDL	MFCD00001288
CAS	6120-95-2
CID PubChem	80206
Nom IUPAC	1-phenylcyclopropane-1-carboxylic acid
Clé InChI	IWWCCNVRNHTGLV-UHFFFAOYSA-N
SMILES	C1CC1(C2=CC=CC=C2)C(=O)O
Formule moléculaire	C10H10O2

1-Cyano-1-cyclopropanecarboxylic acid, 97%

CAS: 6914-79-0 Formule moléculaire: C5H4NO2 Poids moléculaire (g/mol): 110.09 Numéro MDL: MFCD00190651 Clé InChI: KSJJMSKNZVXAND-UHFFFAOYSA-M Synonyme: 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid CID PubChem: 2733259 Nom IUPAC: 1-cyanocyclopropane-1-carboxylic acid SMILES: [O-]C(=O)C1(CC1)C#N

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Poids moléculaire (g/mol)	110.09
Synonyme	1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid
Numéro MDL	MFCD00190651
CAS	6914-79-0
CID PubChem	2733259
Nom IUPAC	1-cyanocyclopropane-1-carboxylic acid
Clé InChI	KSJJMSKNZVXAND-UHFFFAOYSA-M
SMILES	[O-]C(=O)C1(CC1)C#N
Formule moléculaire	C5H4NO2

Isopropyl cyanoacetate, 97%

CAS: 13361-30-3 Formule moléculaire: C6H9NO2 Poids moléculaire (g/mol): 127.143 Numéro MDL: MFCD00019842 Clé InChI: BESQLCCRQYTQQI-UHFFFAOYSA-N Synonyme: isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph CID PubChem: 25917 Nom IUPAC: propan-2-yl 2-cyanoacetate SMILES: CC(C)OC(=O)CC#N

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Poids moléculaire (g/mol)	127.143
Synonyme	isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph
Numéro MDL	MFCD00019842
CAS	13361-30-3
CID PubChem	25917
Nom IUPAC	propan-2-yl 2-cyanoacetate
Clé InChI	BESQLCCRQYTQQI-UHFFFAOYSA-N
SMILES	CC(C)OC(=O)CC#N
Formule moléculaire	C6H9NO2

1-Adamantaneacetic acid, 98%

CAS: 4942-47-6 Formule moléculaire: C12H17O2 Poids moléculaire (g/mol): 193.27 Numéro MDL: MFCD00074728 Clé InChI: AOTQGWFNFTVXNQ-UHFFFAOYSA-M Synonyme: 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane CID PubChem: 123221 Nom IUPAC: 2-(1-adamantyl)acetic acid SMILES: [O-]C(=O)CC12CC3CC(CC(C3)C1)C2

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Poids moléculaire (g/mol)	193.27
Synonyme	1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane
Numéro MDL	MFCD00074728
CAS	4942-47-6
CID PubChem	123221
Nom IUPAC	2-(1-adamantyl)acetic acid
Clé InChI	AOTQGWFNFTVXNQ-UHFFFAOYSA-M
SMILES	[O-]C(=O)CC12CC3CC(CC(C3)C1)C2
Formule moléculaire	C12H17O2

3-(4-Biphenyl)propionic acid, 98%

CAS: 35888-99-4 Formule moléculaire: C15H14O2 Poids moléculaire (g/mol): 226.28 Numéro MDL: MFCD06823979 Clé InChI: MVFHRQWYCXYYMU-UHFFFAOYSA-N Synonyme: 2 4-biphenyl propionic acid,3-4-phenylphenyl propanoic acid,3-4-biphenyl propionic acid,3-1,1'-biphenyl-4-yl propanoic acid,3-biphenyl-4-yl propanoic acid,1,1'-biphenyl-4-propanoic acid,2 para-biphenyl propionic acid,biphenyl-4-propanoic acid CID PubChem: 3082434 Nom IUPAC: 3-(4-phenylphenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)C1=CC=CC=C1

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Poids moléculaire (g/mol)	226.28
Synonyme	2 4-biphenyl propionic acid,3-4-phenylphenyl propanoic acid,3-4-biphenyl propionic acid,3-1,1'-biphenyl-4-yl propanoic acid,3-biphenyl-4-yl propanoic acid,1,1'-biphenyl-4-propanoic acid,2 para-biphenyl propionic acid,biphenyl-4-propanoic acid
Numéro MDL	MFCD06823979
CAS	35888-99-4
CID PubChem	3082434
Nom IUPAC	3-(4-phenylphenyl)propanoic acid
Clé InChI	MVFHRQWYCXYYMU-UHFFFAOYSA-N
SMILES	OC(=O)CCC1=CC=C(C=C1)C1=CC=CC=C1
Formule moléculaire	C15H14O2

Quinoxaline-6-carboxylic acid, 95%

CAS: 6925-00-4 Formule moléculaire: C9H6N2O2 Poids moléculaire (g/mol): 174.159 Numéro MDL: MFCD01365834 Clé InChI: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonyme: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid CID PubChem: 674813 Nom IUPAC: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O

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Poids moléculaire (g/mol)	174.159
Synonyme	6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid
Numéro MDL	MFCD01365834
CAS	6925-00-4
CID PubChem	674813
Nom IUPAC	quinoxaline-6-carboxylic acid
Clé InChI	JGQDBVXRYDEWGM-UHFFFAOYSA-N
SMILES	C1=CC2=NC=CN=C2C=C1C(=O)O
Formule moléculaire	C9H6N2O2

Monocarboxylic acids and derivatives

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