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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)BENZOIC ACID

SMILES

C[C@H](C(O)=O)C1=CC=C(C=C1)C(O)=O

InChI

InChIKey=ZHJJCJKDNFTHKD-LURJTMIESA-N
InChI=1S/C10H10O4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)/t6-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)BENZOIC ACID
Common Name English
BENZENEACETIC ACID, 4-CARBOXY-.ALPHA.-METHYL-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
13123221
Created by admin on Sat Dec 16 13:31:16 GMT 2023 , Edited by admin on Sat Dec 16 13:31:16 GMT 2023
PRIMARY
FDA UNII
LCJ4RS3NLE
Created by admin on Sat Dec 16 13:31:16 GMT 2023 , Edited by admin on Sat Dec 16 13:31:16 GMT 2023
PRIMARY
CAS
145679-14-7
Created by admin on Sat Dec 16 13:31:16 GMT 2023 , Edited by admin on Sat Dec 16 13:31:16 GMT 2023
PRIMARY