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 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLCOUMARIN

SMILES

CC1=C2C=CC(=O)OC2=CC=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H8O2
Molecular Weight 160.1693
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:08:49 GMT 2025
Edited
by admin
on Mon Mar 31 23:08:49 GMT 2025
Record UNII
L84SSL862I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYLCOUMARIN
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 5-METHYL-
Preferred Name English
COUMARIN, 5-METHYL-
Systematic Name English
Code System Code Type Description
CAS
42286-84-0
Created by admin on Mon Mar 31 23:08:49 GMT 2025 , Edited by admin on Mon Mar 31 23:08:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID70195119
Created by admin on Mon Mar 31 23:08:49 GMT 2025 , Edited by admin on Mon Mar 31 23:08:49 GMT 2025
PRIMARY
FDA UNII
L84SSL862I
Created by admin on Mon Mar 31 23:08:49 GMT 2025 , Edited by admin on Mon Mar 31 23:08:49 GMT 2025
PRIMARY
PUBCHEM
39172
Created by admin on Mon Mar 31 23:08:49 GMT 2025 , Edited by admin on Mon Mar 31 23:08:49 GMT 2025
PRIMARY