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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O3
Molecular Weight 210.2695
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Furfuryl heptanoate

SMILES

CCCCCCC(=O)OCC1=CC=CO1

InChI

InChIKey=VZRGLBPRLIGTPE-UHFFFAOYSA-N
InChI=1S/C12H18O3/c1-2-3-4-5-8-12(13)15-10-11-7-6-9-14-11/h6-7,9H,2-5,8,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H18O3
Molecular Weight 210.2695
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 10:09:01 UTC 2023
Edited
by admin
on Sat Dec 16 10:09:01 UTC 2023
Record UNII
WR9B9MA2JX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Furfuryl heptanoate
Systematic Name English
Heptanoic acid, furfuryl ester
Systematic Name English
2-Furanylmethyl heptanoate
Systematic Name English
Heptanoic acid, 2-furanylmethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
557223
Created by admin on Sat Dec 16 10:09:01 UTC 2023 , Edited by admin on Sat Dec 16 10:09:01 UTC 2023
PRIMARY
FDA UNII
WR9B9MA2JX
Created by admin on Sat Dec 16 10:09:01 UTC 2023 , Edited by admin on Sat Dec 16 10:09:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID40339604
Created by admin on Sat Dec 16 10:09:01 UTC 2023 , Edited by admin on Sat Dec 16 10:09:01 UTC 2023
PRIMARY
CAS
39481-28-2
Created by admin on Sat Dec 16 10:09:01 UTC 2023 , Edited by admin on Sat Dec 16 10:09:01 UTC 2023
PRIMARY