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

Details

Stereochemistry RACEMIC
Molecular Formula C14H14O4
Molecular Weight 246.2586
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(.ALPHA.-METHYL-.BETA.-ACETYLETHYL)-4-HYDROXYCOUMARIN

SMILES

CC(CC(C)=O)C1=C(O)C2=C(OC1=O)C=CC=C2

InChI

InChIKey=GUYNSPCZITZRGO-UHFFFAOYSA-N
InChI=1S/C14H14O4/c1-8(7-9(2)15)12-13(16)10-5-3-4-6-11(10)18-14(12)17/h3-6,8,16H,7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(.ALPHA.-METHYL-.BETA.-ACETYLETHYL)-4-HYDROXYCOUMARIN
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-METHYL-3-OXOBUTYL)-
Preferred Name English
COUMARIN, 4-HYDROXY-3-(1-METHYL-3-OXOBUTYL)-
Systematic Name English
3-(ALPHA-METHYL-BETA-ACETYLETHYL)-4-HYDROXYCOUMARIN
Systematic Name English
Code System Code Type Description
CAS
37571-08-7
Created by admin on Mon Mar 31 23:35:22 GMT 2025 , Edited by admin on Mon Mar 31 23:35:22 GMT 2025
PRIMARY
PUBCHEM
85795423
Created by admin on Mon Mar 31 23:35:22 GMT 2025 , Edited by admin on Mon Mar 31 23:35:22 GMT 2025
PRIMARY
FDA UNII
C2Z91YJ3CJ
Created by admin on Mon Mar 31 23:35:22 GMT 2025 , Edited by admin on Mon Mar 31 23:35:22 GMT 2025
PRIMARY