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

Details

Stereochemistry RACEMIC
Molecular Formula C9H6O3
Molecular Weight 162.1421
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMARIN 3,4 EPOXIDE

SMILES

O=C1OC2=CC=CC=C2[C@H]3O[C@@H]13

InChI

InChIKey=YGDJSRSAEUNWRE-HTQZYQBOSA-N
InChI=1S/C9H6O3/c10-9-8-7(12-8)5-3-1-2-4-6(5)11-9/h1-4,7-8H/t7-,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1A,7A-DIHYDRO-7H-OXIRENO(C)(1)BENZOPYRAN-7-ONE
Preferred Name English
COUMARIN 3,4 EPOXIDE
Common Name English
7H-OXIRENO(C)(1)BENZOPYRAN-7-ONE, 1A,7A-DIHYDRO-
Systematic Name English
Code System Code Type Description
CAS
143873-69-2
Created by admin on Wed Apr 02 05:36:22 GMT 2025 , Edited by admin on Wed Apr 02 05:36:22 GMT 2025
PRIMARY
FDA UNII
MKJ2DB9DRS
Created by admin on Wed Apr 02 05:36:22 GMT 2025 , Edited by admin on Wed Apr 02 05:36:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID20932132
Created by admin on Wed Apr 02 05:36:22 GMT 2025 , Edited by admin on Wed Apr 02 05:36:22 GMT 2025
PRIMARY
PUBCHEM
155804703
Created by admin on Wed Apr 02 05:36:22 GMT 2025 , Edited by admin on Wed Apr 02 05:36:22 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of COUMARIN
SUBSTANCE RECORD
Structure of COUMARIN 3,4 EPOXIDE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966