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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14O3
Molecular Weight 218.2485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-BUTOXYCOUMARIN

SMILES

CCCCOC1=CC=C2C=CC(=O)OC2=C1

InChI

InChIKey=BDOGTORASJEUBW-UHFFFAOYSA-N
InChI=1S/C13H14O3/c1-2-3-8-15-11-6-4-10-5-7-13(14)16-12(10)9-11/h4-7,9H,2-3,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H14O3
Molecular Weight 218.2485
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 Sat Dec 16 15:32:57 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:57 GMT 2023
Record UNII
745KX6V3FG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-BUTOXYCOUMARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 7-BUTOXY-
Common Name English
7-BUTOXYCHROMEN-2-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40221994
Created by admin on Sat Dec 16 15:32:57 GMT 2023 , Edited by admin on Sat Dec 16 15:32:57 GMT 2023
PRIMARY
CAS
71783-00-1
Created by admin on Sat Dec 16 15:32:57 GMT 2023 , Edited by admin on Sat Dec 16 15:32:57 GMT 2023
PRIMARY
FDA UNII
745KX6V3FG
Created by admin on Sat Dec 16 15:32:57 GMT 2023 , Edited by admin on Sat Dec 16 15:32:57 GMT 2023
PRIMARY
PUBCHEM
156219
Created by admin on Sat Dec 16 15:32:57 GMT 2023 , Edited by admin on Sat Dec 16 15:32:57 GMT 2023
PRIMARY