U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O3
Molecular Weight 176.1687
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-METHOXYCOUMARIN

SMILES

COC1=CC=CC2=C1OC(=O)C=C2

InChI

InChIKey=ODRDTKMYQDXVGG-UHFFFAOYSA-N
InChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C10H8O3
Molecular Weight 176.1687
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
W3OIY9A2QE
Record Status Validated (UNII)
Record Version