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

Details

Stereochemistry RACEMIC
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CARBOXY-.ALPHA.-METHYLBENZENEACETIC ACID

SMILES

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

InChI

InChIKey=ZHJJCJKDNFTHKD-UHFFFAOYSA-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)

HIDE SMILES / InChI

Molecular Formula C10H10O4
Molecular Weight 194.184
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:52:43 UTC 2023
Edited
by admin
on Sat Dec 16 04:52:43 UTC 2023
Record UNII
P4981U4USV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CARBOXY-.ALPHA.-METHYLBENZENEACETIC ACID
Systematic Name English
DL-2-(4-CARBOXYPHENYL)PROPIONIC ACID
Common Name English
BENZENEACETIC ACID, 4-CARBOXY-.ALPHA.-METHYL-
Common Name English
Code System Code Type Description
CAS
67381-50-4
Created by admin on Sat Dec 16 04:52:43 UTC 2023 , Edited by admin on Sat Dec 16 04:52:43 UTC 2023
PRIMARY
PUBCHEM
181888
Created by admin on Sat Dec 16 04:52:43 UTC 2023 , Edited by admin on Sat Dec 16 04:52:43 UTC 2023
PRIMARY
FDA UNII
P4981U4USV
Created by admin on Sat Dec 16 04:52:43 UTC 2023 , Edited by admin on Sat Dec 16 04:52:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE