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Details

Stereochemistry ACHIRAL
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

CCCCCC(=O)OCC\C=C\CC

InChI

InChIKey=RGACQXBDYBCJCY-FNORWQNLSA-N
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5+

HIDE SMILES / InChI

Molecular Formula C12H22O2
Molecular Weight 198.3019
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:08:53 GMT 2023
Edited
by admin
on Sat Dec 16 09:08:53 GMT 2023
Record UNII
4A4GL78VUN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL HEXANOATE, (3E)-
Systematic Name English
TRANS-3-HEXENYL HEXANOATE
Systematic Name English
TRANS-3-HEXENYL CAPROATE
Systematic Name English
HEXANOIC ACID, (3E)-3-HEXEN-1-YL ESTER
Systematic Name English
HEXANOIC ACID, 3-HEXENYL ESTER, (E)-
Systematic Name English
HEXANOIC ACID, (3E)-3-HEXENYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
260-444-8
Created by admin on Sat Dec 16 09:08:53 GMT 2023 , Edited by admin on Sat Dec 16 09:08:53 GMT 2023
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CAS
56922-82-8
Created by admin on Sat Dec 16 09:08:53 GMT 2023 , Edited by admin on Sat Dec 16 09:08:53 GMT 2023
PRIMARY
FDA UNII
4A4GL78VUN
Created by admin on Sat Dec 16 09:08:53 GMT 2023 , Edited by admin on Sat Dec 16 09:08:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID901020175
Created by admin on Sat Dec 16 09:08:53 GMT 2023 , Edited by admin on Sat Dec 16 09:08:53 GMT 2023
PRIMARY
PUBCHEM
5352975
Created by admin on Sat Dec 16 09:08:53 GMT 2023 , Edited by admin on Sat Dec 16 09:08:53 GMT 2023
PRIMARY