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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzylmalonic acid

SMILES

OC(=O)C(CC1=CC=CC=C1)C(O)=O

InChI

InChIKey=JAEJSNFTJMYIEF-UHFFFAOYSA-N
InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-8068
Preferred Name English
Benzylmalonic acid
Systematic Name English
Malonic acid, benzyl-
Systematic Name English
Propanedioic acid, (phenylmethyl)-
Systematic Name English
2-Benzylmalonate
Systematic Name English
1,1-Ethanedicarboxylic acid, 2-phenyl-
Systematic Name English
AI3-23865
Code English
Code System Code Type Description
EPA CompTox
DTXSID00210607
Created by admin on Mon Mar 31 21:47:11 GMT 2025 , Edited by admin on Mon Mar 31 21:47:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-491-5
Created by admin on Mon Mar 31 21:47:11 GMT 2025 , Edited by admin on Mon Mar 31 21:47:11 GMT 2025
PRIMARY
CAS
616-75-1
Created by admin on Mon Mar 31 21:47:11 GMT 2025 , Edited by admin on Mon Mar 31 21:47:11 GMT 2025
PRIMARY
PUBCHEM
12031
Created by admin on Mon Mar 31 21:47:11 GMT 2025 , Edited by admin on Mon Mar 31 21:47:11 GMT 2025
PRIMARY
FDA UNII
9BJY4TT4MH
Created by admin on Mon Mar 31 21:47:11 GMT 2025 , Edited by admin on Mon Mar 31 21:47:11 GMT 2025
PRIMARY
NSC
8068
Created by admin on Mon Mar 31 21:47:11 GMT 2025 , Edited by admin on Mon Mar 31 21:47:11 GMT 2025
PRIMARY