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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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

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3-(4-Fluorophenyl)propionic acid, 97%

CAS: 459-31-4 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00060327 InChI Key: ZMKXWDPUXLPHCA-UHFFFAOYSA-N Synonym: 3-4-fluorophenyl propionic acid,3-4-fluorophenyl propanoic acid,benzenepropanoic acid, 4-fluoro,3-4-fluoro-phenyl-propionic acid,3-4-fluorophenyl propionicacid,3-4'-fluorophenyl propanoic acid,acmc-1aehu,4-fluorohydrocinnamic acid,4-fluorophenylpropionic acid,4-fluorobenzenepropanoic acid PubChem CID: 136302 IUPAC Name: 3-(4-fluorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)F

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PubChem CID	136302
CAS	459-31-4
Molecular Weight (g/mol)	168.167
MDL Number	MFCD00060327
SMILES	C1=CC(=CC=C1CCC(=O)O)F
Synonym	3-4-fluorophenyl propionic acid,3-4-fluorophenyl propanoic acid,benzenepropanoic acid, 4-fluoro,3-4-fluoro-phenyl-propionic acid,3-4-fluorophenyl propionicacid,3-4'-fluorophenyl propanoic acid,acmc-1aehu,4-fluorohydrocinnamic acid,4-fluorophenylpropionic acid,4-fluorobenzenepropanoic acid
IUPAC Name	3-(4-fluorophenyl)propanoic acid
InChI Key	ZMKXWDPUXLPHCA-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

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Ethyl mercaptoacetate, 98+%

CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS

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Specifications

PubChem CID	12185
CAS	623-51-8
Molecular Weight (g/mol)	120.166
MDL Number	MFCD00004874
SMILES	CCOC(=O)CS
Synonym	ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester
IUPAC Name	ethyl 2-sulfanylacetate
InChI Key	PVBRSNZAOAJRKO-UHFFFAOYSA-N
Molecular Formula	C4H8O2S

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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

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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

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

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n-Propyl propionate, 99%

CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC

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Specifications

PubChem CID	7803
CAS	106-36-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009373
SMILES	CCCOC(=O)CC
Synonym	propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester
IUPAC Name	propyl propanoate
InChI Key	MCSINKKTEDDPNK-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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Cyclopropylacetic acid, 97%

CAS: 5239-82-7 Molecular Formula: C5H8O22 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00041544 InChI Key: BXXOHRWKRXBZTG-UHFFFAOYSA-N Synonym: cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid PubChem CID: 138440 IUPAC Name: 2-cyclopropylacetic acid SMILES: CN1CCN(C)B1N=S=NB1N(C)CCN1C

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Specifications

PubChem CID	138440
CAS	5239-82-7
Molecular Weight (g/mol)	100.12
MDL Number	MFCD00041544
SMILES	CN1CCN(C)B1N=S=NB1N(C)CCN1C
Synonym	cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid
IUPAC Name	2-cyclopropylacetic acid
InChI Key	BXXOHRWKRXBZTG-UHFFFAOYSA-N
Molecular Formula	C5H8O22

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Trimethylacetic acid, 99%

CAS: 75-98-9 Molecular Formula: C₅H₁₀O₂ Molecular Weight (g/mol): 102.13 MDL Number: MFCD00004194 InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonym: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 IUPAC Name: 2,2-dimethylpropanoic acid SMILES: CC(C)(C)C(=O)O

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Specifications

PubChem CID	6417
CAS	75-98-9
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:45133
MDL Number	MFCD00004194
SMILES	CC(C)(C)C(=O)O
Synonym	pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid
IUPAC Name	2,2-dimethylpropanoic acid
InChI Key	IUGYQRQAERSCNH-UHFFFAOYSA-N
Molecular Formula	C₅H₁₀O₂

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3-Pyridinepropionic acid, 97%

CAS: 3724-19-4 Molecular Formula: C₈H₉NO₂ Molecular Weight (g/mol): 151.16 MDL Number: MFCD00274197 InChI Key: WDGXIUUWINKTGP-UHFFFAOYSA-N Synonym: 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 PubChem CID: 259624 IUPAC Name: 3-pyridin-3-ylpropanoic acid SMILES: C1=CC(=CN=C1)CCC(=O)O

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Specifications

PubChem CID	259624
CAS	3724-19-4
Molecular Weight (g/mol)	151.16
MDL Number	MFCD00274197
SMILES	C1=CC(=CN=C1)CCC(=O)O
Synonym	3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332
IUPAC Name	3-pyridin-3-ylpropanoic acid
InChI Key	WDGXIUUWINKTGP-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₂

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Levulinic Acid, 98+%

CAS: 123-76-2 Molecular Formula: C₅H₈O₃ Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O

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Specifications

PubChem CID	11579
CAS	123-76-2
Molecular Weight (g/mol)	116.12
ChEBI	CHEBI:45630
MDL Number	MFCD00002796
SMILES	CC(=O)CCC(=O)O
Synonym	levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid
IUPAC Name	4-oxopentanoic acid
InChI Key	JOOXCMJARBKPKM-UHFFFAOYSA-N
Molecular Formula	C₅H₈O₃

Isopropyl acetate, 99+%, pure

CAS: 108-21-4 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

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PubChem CID	7915
CAS	108-21-4
MDL Number	MFCD00008877
SMILES	CC(C)OC(=O)C
Synonym	isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name	propan-2-yl acetate
InChI Key	JMMWKPVZQRWMSS-UHFFFAOYSA-N

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

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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

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1-Adamantanecarboxylic acid, 99%

CAS: 828-51-3 Molecular Formula: C₁₁H₁₆O₂ Molecular Weight (g/mol): 180.25 MDL Number: MFCD00074720 InChI Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid PubChem CID: 13235 IUPAC Name: adamantane-1-carboxylic acid SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O

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Specifications

PubChem CID	13235
CAS	828-51-3
Molecular Weight (g/mol)	180.25
MDL Number	MFCD00074720
SMILES	C1C2CC3CC1CC(C2)(C3)C(=O)O
Synonym	1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid
IUPAC Name	adamantane-1-carboxylic acid
InChI Key	JIMXXGFJRDUSRO-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆O₂

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4-Phenylbutyric acid, 99%

CAS: 1821-12-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00004403 InChI Key: OBKXEAXTFZPCHS-UHFFFAOYSA-N Synonym: 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid PubChem CID: 4775 ChEBI: CHEBI:41500 IUPAC Name: 4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCCC(=O)O

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Specifications

PubChem CID	4775
CAS	1821-12-1
Molecular Weight (g/mol)	164.204
ChEBI	CHEBI:41500
MDL Number	MFCD00004403
SMILES	C1=CC=C(C=C1)CCCC(=O)O
Synonym	4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid
IUPAC Name	4-phenylbutanoic acid
InChI Key	OBKXEAXTFZPCHS-UHFFFAOYSA-N
Molecular Formula	C10H12O2

Monocarboxylic acids and derivatives

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