U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O3
Molecular Weight 192.2112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Butanoylbenzoic acid

SMILES

CCCC(=O)C1=CC=CC=C1C(O)=O

InChI

InChIKey=HSUHAUVCDQLYEW-UHFFFAOYSA-N
InChI=1S/C11H12O3/c1-2-5-10(12)8-6-3-4-7-9(8)11(13)14/h3-4,6-7H,2,5H2,1H3,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Butanoylbenzoic acid
Common Name English
2-(1-Oxobutyl)benzoic acid
Preferred Name English
2-Butyrylbenzoic acid
Systematic Name English
Benzoic acid, o-butyryl
Systematic Name English
o-Butyrylbenzoic acid
Systematic Name English
Benzoic acid, 2-(1-oxobutyl)
Systematic Name English
Code System Code Type Description
PUBCHEM
21398367
Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025
PRIMARY
CAS
19666-03-6
Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025
PRIMARY
FDA UNII
Q4ZCY9232J
Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID60613079
Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025
PRIMARY