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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O3
Molecular Weight 206.2378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-Methyl-1-oxobutyl)benzoic acid

SMILES

CC(C)CC(=O)C1=CC=CC=C1C(O)=O

InChI

InChIKey=UJBGRWNVLHJDRV-UHFFFAOYSA-N
InChI=1S/C12H14O3/c1-8(2)7-11(13)9-5-3-4-6-10(9)12(14)15/h3-6,8H,7H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-(3-Methylbutanoyl)benzoic acid
Preferred Name English
2-(3-Methyl-1-oxobutyl)benzoic acid
Systematic Name English
Benzoic acid, 2-(3-methyl-1-oxobutyl)
Systematic Name English
Code System Code Type Description
FDA UNII
RS75EHF8GT
Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025
PRIMARY
PUBCHEM
11820288
Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025
PRIMARY
CAS
152567-80-1
Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025
PRIMARY