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 BUTYL COUMARIN-3-CARBOXYLATE

SMILES

CCCCOC(=O)C1=CC2=C(OC1=O)C=CC=C2

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-404236
Preferred Name English
BUTYL COUMARIN-3-CARBOXYLATE
Common Name English
2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, BUTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
7460-87-9
Created by admin on Tue Apr 01 19:44:25 GMT 2025 , Edited by admin on Tue Apr 01 19:44:25 GMT 2025
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PUBCHEM
24044
Created by admin on Tue Apr 01 19:44:25 GMT 2025 , Edited by admin on Tue Apr 01 19:44:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID20225576
Created by admin on Tue Apr 01 19:44:25 GMT 2025 , Edited by admin on Tue Apr 01 19:44:25 GMT 2025
PRIMARY
NSC
404236
Created by admin on Tue Apr 01 19:44:25 GMT 2025 , Edited by admin on Tue Apr 01 19:44:25 GMT 2025
PRIMARY
FDA UNII
H6ZG79VP13
Created by admin on Tue Apr 01 19:44:25 GMT 2025 , Edited by admin on Tue Apr 01 19:44:25 GMT 2025
PRIMARY