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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXENYL PROPIONATE, (3E)-

SMILES

CC\C=C\CCOC(=O)CC

InChI

InChIKey=LGTLDEUQCOJGFP-AATRIKPKSA-N
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
3-HEXENYL PROPIONATE, (3E)-
Systematic Name English
TRANS-3-HEXENYL PROPANOATE
Systematic Name English
TRANS-3-HEXENYL PROPIONATE
Systematic Name English
3-HEXEN-1-OL, 1-PROPANOATE, (3E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5352977
Created by admin on Sat Dec 16 10:21:08 GMT 2023 , Edited by admin on Sat Dec 16 10:21:08 GMT 2023
PRIMARY
CAS
53398-81-5
Created by admin on Sat Dec 16 10:21:08 GMT 2023 , Edited by admin on Sat Dec 16 10:21:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID201037426
Created by admin on Sat Dec 16 10:21:08 GMT 2023 , Edited by admin on Sat Dec 16 10:21:08 GMT 2023
PRIMARY
FDA UNII
NZ4EH67031
Created by admin on Sat Dec 16 10:21:08 GMT 2023 , Edited by admin on Sat Dec 16 10:21:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-514-8
Created by admin on Sat Dec 16 10:21:08 GMT 2023 , Edited by admin on Sat Dec 16 10:21:08 GMT 2023
PRIMARY