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 7-HYDROXY-8-((3-METHYL-2-BUTENYL)OXY)-2H-1-BENZOPYRAN-2-ONE

SMILES

CC(C)=CCOC1=C2OC(=O)C=CC2=CC=C1O

InChI

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

HIDE SMILES / InChI

Molecular Formula C14H14O4
Molecular Weight 246.2586
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 11:31:07 UTC 2023
Edited
by admin
on Sat Dec 16 11:31:07 UTC 2023
Record UNII
3U9JG90P8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXY-8-((3-METHYL-2-BUTENYL)OXY)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-8-((3-METHYL-2-BUTEN-1-YL)OXY)-
Systematic Name English
Code System Code Type Description
CAS
92070-83-2
Created by admin on Sat Dec 16 11:31:07 UTC 2023 , Edited by admin on Sat Dec 16 11:31:07 UTC 2023
PRIMARY
FDA UNII
3U9JG90P8B
Created by admin on Sat Dec 16 11:31:07 UTC 2023 , Edited by admin on Sat Dec 16 11:31:07 UTC 2023
PRIMARY
PUBCHEM
86254474
Created by admin on Sat Dec 16 11:31:07 UTC 2023 , Edited by admin on Sat Dec 16 11:31:07 UTC 2023
PRIMARY