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 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATE, (±)-

SMILES

COC(=O)[C@H]1O[C@@H]1C2=CC=C(OC)C=C2

InChI

InChIKey=CVZUMGUZDAWOGA-ZJUUUORDSA-N
InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3/t9-,10+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATE, (±)-
Systematic Name English
2-OXIRANECARBOXYLIC ACID, 3-(4-METHOXYPHENYL)-, METHYL ESTER, (2R,3S)-REL-
Preferred Name English
METHYL 3-(4-METHOXYPHENYL)GLYCIDATE, TRANS-(±)-
Systematic Name English
OXIRANECARBOXYLIC ACID, 3-(4-METHOXYPHENYL)-, METHYL ESTER, TRANS-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
LQ65CA9BKC
Created by admin on Wed Apr 02 09:59:14 GMT 2025 , Edited by admin on Wed Apr 02 09:59:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID30914646
Created by admin on Wed Apr 02 09:59:14 GMT 2025 , Edited by admin on Wed Apr 02 09:59:14 GMT 2025
PRIMARY
CAS
96125-49-4
Created by admin on Wed Apr 02 09:59:14 GMT 2025 , Edited by admin on Wed Apr 02 09:59:14 GMT 2025
PRIMARY