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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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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

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
2

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

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
3

trans-2-Butenyl acetate, 95%

CAS: 628-08-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00039912 InChI Key: WNHXJHGRIHUOTG-ONEGZZNKSA-N Synonym: trans-2-butenyl acetate,crotyl acetate,e-2-butenyl acetate,2-buten-1-ol, acetate,e-crotyl acetate,e-but-2-enyl acetate,2-buten-1-ol, acetate, 2e,2-buten-1-ol, 1-acetate, 2e,2e-but-2-en-1-yl acetate,e-2-buten-1-yl acetate PubChem CID: 5363082 IUPAC Name: [(E)-but-2-enyl] acetate SMILES: CC=CCOC(=O)C

PubChem CID 5363082
CAS 628-08-0
Molecular Weight (g/mol) 114.144
MDL Number MFCD00039912
SMILES CC=CCOC(=O)C
Synonym trans-2-butenyl acetate,crotyl acetate,e-2-butenyl acetate,2-buten-1-ol, acetate,e-crotyl acetate,e-but-2-enyl acetate,2-buten-1-ol, acetate, 2e,2-buten-1-ol, 1-acetate, 2e,2e-but-2-en-1-yl acetate,e-2-buten-1-yl acetate
IUPAC Name [(E)-but-2-enyl] acetate
InChI Key WNHXJHGRIHUOTG-ONEGZZNKSA-N
Molecular Formula C6H10O2
4

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

Isovaleric acid, 99%

CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O

PubChem CID 10430
CAS 503-74-2
Molecular Weight (g/mol) 102.13
ChEBI CHEBI:28484
MDL Number MFCD00002726
SMILES CC(C)CC(O)=O
Synonym isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid
IUPAC Name 3-methylbutanoic acid
InChI Key GWYFCOCPABKNJV-UHFFFAOYSA-N
Molecular Formula C5H10O2
6

Ethyl thiophene-2-carboxylate, 98+%

CAS: 2810-04-0 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00005436 InChI Key: JZGZKRJVTIRPOK-UHFFFAOYSA-N PubChem CID: 76052 IUPAC Name: ethyl thiophene-2-carboxylate SMILES: CCOC(=O)C1=CC=CS1

PubChem CID 76052
CAS 2810-04-0
Molecular Weight (g/mol) 156.20
MDL Number MFCD00005436
SMILES CCOC(=O)C1=CC=CS1
IUPAC Name ethyl thiophene-2-carboxylate
InChI Key JZGZKRJVTIRPOK-UHFFFAOYSA-N
Molecular Formula C7H8O2S
7

Ethyl 3-hexenoate, 98%

CAS: 2396-83-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036524 InChI Key: VTSFIPHRNAESED-AATRIKPKSA-N Synonym: ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e PubChem CID: 5362622 IUPAC Name: ethyl (E)-hex-3-enoate SMILES: CCOC(=O)C\C=C\CC

PubChem CID 5362622
CAS 2396-83-0
Molecular Weight (g/mol) 142.20
MDL Number MFCD00036524
SMILES CCOC(=O)C\C=C\CC
Synonym ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e
IUPAC Name ethyl (E)-hex-3-enoate
InChI Key VTSFIPHRNAESED-AATRIKPKSA-N
Molecular Formula C8H14O2
8

n-Propyl acetate, 99%

CAS: 109-60-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00009372 InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N Synonym: n-propyl acetate,acetic acid, propyl ester,propyl ethanoate,1-acetoxypropane,n-propyl ethanoate,1-propyl acetate,acetic acid n-propyl ester,octan propylu,propylacetate,acetic acid propyl ester PubChem CID: 7997 ChEBI: CHEBI:40116 IUPAC Name: propyl acetate SMILES: CCCOC(C)=O

PubChem CID 7997
CAS 109-60-4
Molecular Weight (g/mol) 102.13
ChEBI CHEBI:40116
MDL Number MFCD00009372
SMILES CCCOC(C)=O
Synonym n-propyl acetate,acetic acid, propyl ester,propyl ethanoate,1-acetoxypropane,n-propyl ethanoate,1-propyl acetate,acetic acid n-propyl ester,octan propylu,propylacetate,acetic acid propyl ester
IUPAC Name propyl acetate
InChI Key YKYONYBAUNKHLG-UHFFFAOYSA-N
Molecular Formula C5H10O2
9

5-Norbornene-2-carboxylic acid, predominantly endo isomer, 97%

CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00085356 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O

PubChem CID 78949
CAS 120-74-1
Molecular Weight (g/mol) 138.166
MDL Number MFCD00085356
SMILES C1C2CC(C1C=C2)C(=O)O
Synonym 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid
IUPAC Name bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
InChI Key FYGUSUBEMUKACF-UHFFFAOYSA-N
Molecular Formula C8H10O2
10

2-Methylcyclopropanecarboxylic acid, cis + trans, 96%

CAS: 29555-02-0 Molecular Formula: C5H7O2 Molecular Weight (g/mol): 99.11 MDL Number: MFCD00001293 InChI Key: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonym: 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 PubChem CID: 99873 IUPAC Name: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O

PubChem CID 99873
CAS 29555-02-0
Molecular Weight (g/mol) 99.11
MDL Number MFCD00001293
SMILES C[C@H]1C[C@H]1C([O-])=O
Synonym 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
IUPAC Name 2-methylcyclopropane-1-carboxylic acid
InChI Key AYEGPMGNMOIHDL-IUYQGCFVSA-M
Molecular Formula C5H7O2
11

2-Methylbutyric acid, 98%

CAS: 116-53-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002669 InChI Key: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonym: 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 PubChem CID: 8314 ChEBI: CHEBI:37070 IUPAC Name: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O

PubChem CID 8314
CAS 116-53-0
Molecular Weight (g/mol) 102.133
ChEBI CHEBI:37070
MDL Number MFCD00002669
SMILES CCC(C)C(=O)O
Synonym 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
IUPAC Name 2-methylbutanoic acid
InChI Key WLAMNBDJUVNPJU-UHFFFAOYSA-N
Molecular Formula C5H10O2
12

Ethyl 4-pyridineacetate, 98%

CAS: 54401-85-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00051830 InChI Key: QVLJLWHOILVHJJ-UHFFFAOYSA-N Synonym: ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate PubChem CID: 736321 IUPAC Name: ethyl 2-pyridin-4-ylacetate SMILES: CCOC(=O)CC1=CC=NC=C1

PubChem CID 736321
CAS 54401-85-3
Molecular Weight (g/mol) 165.192
MDL Number MFCD00051830
SMILES CCOC(=O)CC1=CC=NC=C1
Synonym ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate
IUPAC Name ethyl 2-pyridin-4-ylacetate
InChI Key QVLJLWHOILVHJJ-UHFFFAOYSA-N
Molecular Formula C9H11NO2
13

3-(4-Hydroxyphenyl)propionic acid, 99%

CAS: 501-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002778 InChI Key: NMHMNPHRMNGLLB-UHFFFAOYSA-N Synonym: 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid PubChem CID: 10394 ChEBI: CHEBI:32980 IUPAC Name: 3-(4-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)O

PubChem CID 10394
CAS 501-97-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:32980
MDL Number MFCD00002778
SMILES C1=CC(=CC=C1CCC(=O)O)O
Synonym 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid
IUPAC Name 3-(4-hydroxyphenyl)propanoic acid
InChI Key NMHMNPHRMNGLLB-UHFFFAOYSA-N
Molecular Formula C9H10O3
14

5-Norbornene-2-carboxylic acid, 98%, mixture of isomers, Thermo Scientific Chemicals

CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.16 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O

PubChem CID 78949
CAS 120-74-1
Molecular Weight (g/mol) 138.16
SMILES C1C2CC(C1C=C2)C(=O)O
Synonym 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid
IUPAC Name bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
InChI Key FYGUSUBEMUKACF-UHFFFAOYSA-N
Molecular Formula C8H10O2
15

Hexyl acetate, 99%

CAS: 142-92-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 InChI Key: AOGQPLXWSUTHQB-UHFFFAOYSA-N Synonym: n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural PubChem CID: 8908 ChEBI: CHEBI:87510 IUPAC Name: hexyl acetate SMILES: CCCCCCOC(=O)C

PubChem CID 8908
CAS 142-92-7
Molecular Weight (g/mol) 144.21
ChEBI CHEBI:87510
SMILES CCCCCCOC(=O)C
Synonym n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural
IUPAC Name hexyl acetate
InChI Key AOGQPLXWSUTHQB-UHFFFAOYSA-N
Molecular Formula C8H16O2