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

Details

Stereochemistry RACEMIC
Molecular Formula C11H12O3
Molecular Weight 192.2112
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAPA

SMILES

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

InChI

InChIKey=CYSACHQWYQYLIG-UHFFFAOYSA-N
InChI=1S/C11H12O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
MAPA
Common Name English
Methyl alpha-phenylacetoacetate
Common Name English
Methyl α-acetylphenylacetate
Common Name English
Methyl 3-oxo-2-phenylbutanoate
Systematic Name English
Methyl 2-phenylacetoacetate
Systematic Name English
Classification Tree Code System Code
DEA NO. 8795
Created by admin on Sat Dec 16 19:34:30 GMT 2023 , Edited by admin on Sat Dec 16 19:34:30 GMT 2023
Code System Code Type Description
CAS
16648-44-5
Created by admin on Sat Dec 16 19:34:30 GMT 2023 , Edited by admin on Sat Dec 16 19:34:30 GMT 2023
PRIMARY
FDA UNII
2TG7ZF9DBT
Created by admin on Sat Dec 16 19:34:30 GMT 2023 , Edited by admin on Sat Dec 16 19:34:30 GMT 2023
PRIMARY
PUBCHEM
13096216
Created by admin on Sat Dec 16 19:34:30 GMT 2023 , Edited by admin on Sat Dec 16 19:34:30 GMT 2023
PRIMARY