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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O4
Molecular Weight 218.2054
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LIQCOUMARIN

SMILES

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

InChI

InChIKey=UMNMVZFOKSPTJN-UHFFFAOYSA-N
InChI=1S/C12H10O4/c1-6-5-10(14)16-9-4-3-8(7(2)13)12(15)11(6)9/h3-5,15H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
LIQCOUMARIN
Common Name English
COUMARIN, 6-ACETYL-5-HYDROXY-4-METHYL-
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 6-ACETYL-5-HYDROXY-4-METHYL-
Systematic Name English
6-ACETYL-5-HYDROXY-4-METHYLCOUMARIN
Systematic Name English
Code System Code Type Description
CAS
36695-19-9
Created by admin on Sat Dec 16 09:28:28 GMT 2023 , Edited by admin on Sat Dec 16 09:28:28 GMT 2023
PRIMARY
FDA UNII
6VBS1TD9FZ
Created by admin on Sat Dec 16 09:28:28 GMT 2023 , Edited by admin on Sat Dec 16 09:28:28 GMT 2023
PRIMARY
PUBCHEM
11378967
Created by admin on Sat Dec 16 09:28:28 GMT 2023 , Edited by admin on Sat Dec 16 09:28:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID201235335
Created by admin on Sat Dec 16 09:28:28 GMT 2023 , Edited by admin on Sat Dec 16 09:28:28 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of LIQCOUMARIN
NIH
NCATS
PRIVACY ACT
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