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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O2
Molecular Weight 160.1693
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Ethylidenephthalide

SMILES

CC=C1OC(=O)C2=CC=CC=C12

InChI

InChIKey=FLOWXWKOKRXGBR-MBXJOHMKSA-N
InChI=1S/C10H8O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h2-6H,1H3/b9-2-

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-508400
Preferred Name English
3-Ethylidenephthalide
Common Name English
1(3H)-Isobenzofuranone, 3-ethylidene
Systematic Name English
3-Ethylidene-1(3H)-isobenzofuranone
Systematic Name English
Code System Code Type Description
CAS
61658-90-0
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID50358861
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY
FDA UNII
DE3G2PC4GX
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY
PUBCHEM
350182
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY
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