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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O3
Molecular Weight 162.1421
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-1,3-ISOBENZOFURANDIONE

SMILES

CC1=C2C(=O)OC(=O)C2=CC=C1

InChI

InChIKey=TWWAWPHAOPTQEU-UHFFFAOYSA-N
InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-METHYL-1,3-ISOBENZOFURANDIONE
Systematic Name English
NSC-61875
Preferred Name English
2,3-TOLUENEDICARBOXYLIC ANHYDRIDE
Systematic Name English
1,3-ISOBENZOFURANDIONE, 4-METHYL-
Systematic Name English
PHTHALIC ANHYDRIDE, 3-METHYL-
Systematic Name English
3-METHYLPHTHALIC ANHYDRIDE
Systematic Name English
Code System Code Type Description
CAS
4792-30-7
Created by admin on Tue Apr 01 23:03:44 GMT 2025 , Edited by admin on Tue Apr 01 23:03:44 GMT 2025
PRIMARY
FDA UNII
BJC50EL71I
Created by admin on Tue Apr 01 23:03:44 GMT 2025 , Edited by admin on Tue Apr 01 23:03:44 GMT 2025
PRIMARY
PUBCHEM
98500
Created by admin on Tue Apr 01 23:03:44 GMT 2025 , Edited by admin on Tue Apr 01 23:03:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-344-0
Created by admin on Tue Apr 01 23:03:44 GMT 2025 , Edited by admin on Tue Apr 01 23:03:44 GMT 2025
PRIMARY
NSC
61875
Created by admin on Tue Apr 01 23:03:44 GMT 2025 , Edited by admin on Tue Apr 01 23:03:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID0063606
Created by admin on Tue Apr 01 23:03:44 GMT 2025 , Edited by admin on Tue Apr 01 23:03:44 GMT 2025
PRIMARY