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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20O4
Molecular Weight 288.3383
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=NOPDVVVDJIYEHN-UHFFFAOYSA-N
InChI=1S/C17H20O4/c1-2-3-4-5-6-10-13(18)15-16(19)12-9-7-8-11-14(12)21-17(15)20/h7-9,11,19H,2-6,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H20O4
Molecular Weight 288.3383
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 12:55:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:25 GMT 2023
Record UNII
P1U2U2V2M1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-3-OCTANOYL-2H-CHROMEN-2-ONE
Systematic Name English
NSC-372924
Code English
COUMARIN, 4-HYDROXY-3-OCTANOYL-
Systematic Name English
3-OCTANOYL-4-HYDROXYCOUMARIN
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-OXOOCTYL)-
Systematic Name English
4-HYDROXY-3-(1-OXOOCTYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00190450
Created by admin on Sat Dec 16 12:55:25 GMT 2023 , Edited by admin on Sat Dec 16 12:55:25 GMT 2023
PRIMARY
CAS
36953-90-9
Created by admin on Sat Dec 16 12:55:25 GMT 2023 , Edited by admin on Sat Dec 16 12:55:25 GMT 2023
PRIMARY
PUBCHEM
54680875
Created by admin on Sat Dec 16 12:55:25 GMT 2023 , Edited by admin on Sat Dec 16 12:55:25 GMT 2023
PRIMARY
FDA UNII
P1U2U2V2M1
Created by admin on Sat Dec 16 12:55:25 GMT 2023 , Edited by admin on Sat Dec 16 12:55:25 GMT 2023
PRIMARY
NSC
372924
Created by admin on Sat Dec 16 12:55:25 GMT 2023 , Edited by admin on Sat Dec 16 12:55:25 GMT 2023
PRIMARY