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

Details

Stereochemistry RACEMIC
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ?-[(Acetyloxy)methyl]benzeneacetic acid

SMILES

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

InChI

InChIKey=OXGQBORIYFGJPM-UHFFFAOYSA-N
InChI=1S/C11H12O4/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C11H12O4
Molecular Weight 208.2106
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 Wed Apr 02 16:57:49 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:49 GMT 2025
Record UNII
B8ZB7U6HFW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?-[(Acetyloxy)methyl]benzeneacetic acid
Systematic Name English
Acetyltropic acid
Preferred Name English
3-Acetoxy-2-phenylpropanoicacid
Systematic Name English
Tropic acid, acetate
Systematic Name English
2-Phenyl-?-acetoxypropanoic acid
Systematic Name English
3-Acetoxy-2-phenylpropanoic Acid
Systematic Name English
Benzeneacetic acid, ?-[(acetyloxy)methyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
10921700
Created by admin on Wed Apr 02 16:57:49 GMT 2025 , Edited by admin on Wed Apr 02 16:57:49 GMT 2025
PRIMARY
FDA UNII
B8ZB7U6HFW
Created by admin on Wed Apr 02 16:57:49 GMT 2025 , Edited by admin on Wed Apr 02 16:57:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID20448420
Created by admin on Wed Apr 02 16:57:49 GMT 2025 , Edited by admin on Wed Apr 02 16:57:49 GMT 2025
PRIMARY
CAS
14510-36-2
Created by admin on Wed Apr 02 16:57:49 GMT 2025 , Edited by admin on Wed Apr 02 16:57:49 GMT 2025
PRIMARY