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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Phenylglutaric acid

SMILES

OC(=O)CC(CC(O)=O)C1=CC=CC=C1

InChI

InChIKey=RZOKZOYSUCSPDF-UHFFFAOYSA-N
InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Phenylpentanedioic acid
Preferred Name English
3-Phenylglutaric acid
Systematic Name English
Pentanedioic acid, 3-phenyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
77823
Created by admin on Tue Apr 01 20:25:33 GMT 2025 , Edited by admin on Tue Apr 01 20:25:33 GMT 2025
PRIMARY
CAS
4165-96-2
Created by admin on Tue Apr 01 20:25:33 GMT 2025 , Edited by admin on Tue Apr 01 20:25:33 GMT 2025
PRIMARY
FDA UNII
WSG2NF7Z5J
Created by admin on Tue Apr 01 20:25:33 GMT 2025 , Edited by admin on Tue Apr 01 20:25:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-016-4
Created by admin on Tue Apr 01 20:25:33 GMT 2025 , Edited by admin on Tue Apr 01 20:25:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID30194466
Created by admin on Tue Apr 01 20:25:33 GMT 2025 , Edited by admin on Tue Apr 01 20:25:33 GMT 2025
PRIMARY