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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO3
Molecular Weight 163.1302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISATOIC ANHYDRIDE

SMILES

O=C1NC2=C(C=CC=C2)C(=O)O1

InChI

InChIKey=TXJUTRJFNRYTHH-UHFFFAOYSA-N
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)

HIDE SMILES / InChI

Molecular Formula C8H5NO3
Molecular Weight 163.1302
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
R8TFA74Y4U
Record Status Validated (UNII)
Record Version