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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-PHENYLISOVALERIC ACID

SMILES

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

InChI

InChIKey=JTZZMXVIHNHASS-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-1046
Preferred Name English
.BETA.-PHENYLISOVALERIC ACID
Systematic Name English
NSC-200697
Code English
HYDROCINNAMIC ACID, .BETA.,.BETA.-DIMETHYL-
Systematic Name English
NSC-408029
Code English
BENZENEPROPANOIC ACID, .BETA.,.BETA.-DIMETHYL-
Systematic Name English
3-METHYL-3-PHENYLBUTYRIC ACID
Systematic Name English
3,3-DIMETHYL-3-PHENYLPROPIONIC ACID
Systematic Name English
.BETA.,.BETA.-DIMETHYLBENZENEPROPANOIC ACID
Systematic Name English
3-PHENYLISOPENTANOIC ACID
Systematic Name English
3-METHYL-3-PHENYLBUTANOIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, BETA,BETA-DIMETHYL-
Common Name English
Code System Code Type Description
FDA UNII
SY9Z3KBQ5R
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY
NSC
200697
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY
NSC
1046
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY
CAS
1010-48-6
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY
NSC
408029
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY
PUBCHEM
13890
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID40143622
Created by admin on Tue Apr 01 20:02:11 GMT 2025 , Edited by admin on Tue Apr 01 20:02:11 GMT 2025
PRIMARY