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 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 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

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Specifications

PubChem CID	1032
CAS	79-09-4
Molecular Weight (g/mol)	74.079
ChEBI	CHEBI:30768
MDL Number	MFCD00002756
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
Molecular Formula	C3H6O2

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n-Butyl Acetate (Reagent), Fisher Chemical™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: 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 PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

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Specifications

PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	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
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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

CAS: 161712-75-0 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.16 MDL Number: MFCD00799520 InChI Key: UOZIYCHJMUNLIG-UHFFFAOYSA-N Synonym: 3,4-difluorohydrocinnamic acid,3-3,4-difluorophenyl propanoic acid,3-3,4-difluorophenyl propionic acid,benzenepropanoic acid,3,4-difluoro,3-3,4-difluorophenyl-propionic acid,3,4-difluoro-benzenepropanoic acid,benzenepropanoic acid, 3,4-difluoro,acmc-1bx9z,3,4-difluorohydrocinnamicacid,benzenepropanoicacid,3,4-difluoro PubChem CID: 2778994 IUPAC Name: 3-(3,4-difluorophenyl)propanoic acid SMILES: OC(=O)CCC1=CC(F)=C(F)C=C1

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Specifications

PubChem CID	2778994
CAS	161712-75-0
Molecular Weight (g/mol)	186.16
MDL Number	MFCD00799520
SMILES	OC(=O)CCC1=CC(F)=C(F)C=C1
Synonym	3,4-difluorohydrocinnamic acid,3-3,4-difluorophenyl propanoic acid,3-3,4-difluorophenyl propionic acid,benzenepropanoic acid,3,4-difluoro,3-3,4-difluorophenyl-propionic acid,3,4-difluoro-benzenepropanoic acid,benzenepropanoic acid, 3,4-difluoro,acmc-1bx9z,3,4-difluorohydrocinnamicacid,benzenepropanoicacid,3,4-difluoro
IUPAC Name	3-(3,4-difluorophenyl)propanoic acid
InChI Key	UOZIYCHJMUNLIG-UHFFFAOYSA-N
Molecular Formula	C9H8F2O2

1H-Benzimidazole-4-carboxylic acid, 97%

CAS: 46006-36-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD01823426 InChI Key: VVQNAFBGAWCMLU-UHFFFAOYSA-N Synonym: 1h-benzoimidazole-4-carboxylic acid,1h-benzimidazole-7-carboxylic acid,benzimidazole-4-carboxylic acid,1h-benzo d imidazole-4-carboxylic acid,1h-1,3-benzodiazole-4-carboxylic acid,1h-benzo d imidazole-7-carboxylic acid,3h-1,3-benzodiazole-4-carboxylic acid,1h-benzimidazole-4-carboxylicacid,acmc-1aqhf,4-carboxy-1h-benzimidazole PubChem CID: 2771758 SMILES: OC(=O)C1=C2N=CNC2=CC=C1

Pricing and Availability
Specifications

PubChem CID	2771758
CAS	46006-36-4
Molecular Weight (g/mol)	162.15
MDL Number	MFCD01823426
SMILES	OC(=O)C1=C2N=CNC2=CC=C1
Synonym	1h-benzoimidazole-4-carboxylic acid,1h-benzimidazole-7-carboxylic acid,benzimidazole-4-carboxylic acid,1h-benzo d imidazole-4-carboxylic acid,1h-1,3-benzodiazole-4-carboxylic acid,1h-benzo d imidazole-7-carboxylic acid,3h-1,3-benzodiazole-4-carboxylic acid,1h-benzimidazole-4-carboxylicacid,acmc-1aqhf,4-carboxy-1h-benzimidazole
InChI Key	VVQNAFBGAWCMLU-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

3-Noradamantanecarboxylic acid, 98%

CAS: 16200-53-6 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00213463 InChI Key: RXUUYFUQAGICCD-NLZKFAMNSA-N Synonym: 3-noradamantanecarboxylic acid,3-noradamantane carboxylic acid,octahydro-2,5-methanopentalene-3a-carboxylic acid,2,5-methanopentalene-3a 1h-carboxylic acid, hexahydro,3-noradamantancarboxylic acid,3-noradamantanecarboxylicacid,rxuuyfuqagiccd-uhfffaoysa,3-noradamantanecarboxylate nac,hexahydro-2,5-methano-pentalene-3a-carboxylic acid,tricyclo 3.3.1.0<3,7> nonane-3-carboxylic acid PubChem CID: 11887834 SMILES: C1C2CC3CC1CC3(C2)C(=O)O

Pricing and Availability
Specifications

PubChem CID	11887834
CAS	16200-53-6
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00213463
SMILES	C1C2CC3CC1CC3(C2)C(=O)O
Synonym	3-noradamantanecarboxylic acid,3-noradamantane carboxylic acid,octahydro-2,5-methanopentalene-3a-carboxylic acid,2,5-methanopentalene-3a 1h-carboxylic acid, hexahydro,3-noradamantancarboxylic acid,3-noradamantanecarboxylicacid,rxuuyfuqagiccd-uhfffaoysa,3-noradamantanecarboxylate nac,hexahydro-2,5-methano-pentalene-3a-carboxylic acid,tricyclo 3.3.1.0<3,7> nonane-3-carboxylic acid
InChI Key	RXUUYFUQAGICCD-NLZKFAMNSA-N
Molecular Formula	C10H14O2

Quinoxaline-5-carboxylic acid, 95%, Thermo Scientific Chemicals

CAS: 6924-66-9 Molecular Formula: C₉H₆N₂O₂ Molecular Weight (g/mol): 174.16 MDL Number: MFCD02854494 InChI Key: QLZNISOPACYKOR-UHFFFAOYSA-N Synonym: 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid PubChem CID: 776833 IUPAC Name: quinoxaline-5-carboxylic acid SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O

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Specifications

PubChem CID	776833
CAS	6924-66-9
Molecular Weight (g/mol)	174.16
MDL Number	MFCD02854494
SMILES	C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
Synonym	5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid
IUPAC Name	quinoxaline-5-carboxylic acid
InChI Key	QLZNISOPACYKOR-UHFFFAOYSA-N
Molecular Formula	C₉H₆N₂O₂

Isopropyl formate, 98%

CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O

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Specifications

PubChem CID	12257
CAS	625-55-8
Molecular Weight (g/mol)	88.11
MDL Number	MFCD00014127
SMILES	CC(C)OC=O
Synonym	isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2
IUPAC Name	propan-2-yl formate
InChI Key	RMOUBSOVHSONPZ-UHFFFAOYSA-N
Molecular Formula	C4H8O2

Propionic acid, 99+%, extra pure

CAS: 79-09-4 Molecular Formula: C₃H₆O₂ Molecular Weight (g/mol): 74.08 MDL Number: MFCD00002756 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

Pricing and Availability
Specifications

PubChem CID	1032
CAS	79-09-4
Molecular Weight (g/mol)	74.08
ChEBI	CHEBI:30768
MDL Number	MFCD00002756
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
Molecular Formula	C₃H₆O₂

Ethyl oleate, 98%, mixture of homologeous fatty acid esters

CAS: 111-62-6 Molecular Formula: C₂₀H₃₈O₂ Molecular Weight (g/mol): 310.51 InChI Key: LVGKNOAMLMIIKO-QXMHVHEDSA-N Synonym: ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 PubChem CID: 5363269 ChEBI: CHEBI:84940 IUPAC Name: ethyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC

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Specifications

PubChem CID	5363269
CAS	111-62-6
Molecular Weight (g/mol)	310.51
ChEBI	CHEBI:84940
SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC
Synonym	ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450
IUPAC Name	ethyl (Z)-octadec-9-enoate
InChI Key	LVGKNOAMLMIIKO-QXMHVHEDSA-N
Molecular Formula	C₂₀H₃₈O₂

PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	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
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

n-Butyl acetate, HPLC Grade, 99.5+%

Pricing and Availability
Specifications

PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	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
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

3-(2-Fluorophenyl)propionic acid, 96%

CAS: 1643-26-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD01310820 InChI Key: GUZLQEOSDXLCKX-UHFFFAOYSA-N PubChem CID: 2063866 IUPAC Name: 3-(2-fluorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)F

Pricing and Availability
Specifications

PubChem CID	2063866
CAS	1643-26-1
Molecular Weight (g/mol)	168.167
MDL Number	MFCD01310820
SMILES	C1=CC=C(C(=C1)CCC(=O)O)F
IUPAC Name	3-(2-fluorophenyl)propanoic acid
InChI Key	GUZLQEOSDXLCKX-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

n-Butyl acetate, 99+%, Extra Dry, AcroSeal™

Pricing and Availability
Specifications

PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	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
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

4-Biphenylacetic acid, 98%

CAS: 5728-52-9 MDL Number: MFCD00004351 InChI Key: QRZAKQDHEVVFRX-UHFFFAOYSA-N Synonym: 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid PubChem CID: 3332 ChEBI: CHEBI:31597 IUPAC Name: 2-(4-phenylphenyl)acetic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O

Pricing and Availability
Specifications

PubChem CID	3332
CAS	5728-52-9
ChEBI	CHEBI:31597
MDL Number	MFCD00004351
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
Synonym	4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid
IUPAC Name	2-(4-phenylphenyl)acetic acid
InChI Key	QRZAKQDHEVVFRX-UHFFFAOYSA-N

1H-Indene-3-carboxylic acid, 97%

CAS: 5020-21-3 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00086207 InChI Key: NZSCUDBGUBVDLO-UHFFFAOYSA-N Synonym: 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid PubChem CID: 84261 IUPAC Name: 3H-indene-1-carboxylic acid SMILES: C1C=C(C2=CC=CC=C21)C(=O)O

Pricing and Availability
Specifications

PubChem CID	84261
CAS	5020-21-3
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00086207
SMILES	C1C=C(C2=CC=CC=C21)C(=O)O
Synonym	1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid
IUPAC Name	3H-indene-1-carboxylic acid
InChI Key	NZSCUDBGUBVDLO-UHFFFAOYSA-N
Molecular Formula	C10H8O2

Monocarboxylic acids and derivatives

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