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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14O4
Molecular Weight 246.2586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-3-PENTANOYL-2H-CHROMEN-2-ONE

SMILES

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

InChI

InChIKey=UOUQUFVBCJNHNY-UHFFFAOYSA-N
InChI=1S/C14H14O4/c1-2-3-7-10(15)12-13(16)9-6-4-5-8-11(9)18-14(12)17/h4-6,8,16H,2-3,7H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-372923
Preferred Name English
4-HYDROXY-3-PENTANOYL-2H-CHROMEN-2-ONE
Systematic Name English
COUMARIN, 4-HYDROXY-3-VALERYL-
Systematic Name English
3-VALERYL-4-HYDROXYCOUMARIN
Systematic Name English
4-HYDROXY-3-(1-OXOPENTYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-OXOPENTYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90190449
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
NSC
372923
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
FDA UNII
DZ0GEO6J9S
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
PUBCHEM
54677775
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
CAS
36953-87-4
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY