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ScientificNameLabel
trans-Hex-3-enyl hexanoate
PHCD compound ID : 2328
Chemical Names :
trans-Hex-3-enyl hexanoate
Molecular Formula : C12H22O2
Molecular Weight : 198.16198
More Details :
Names & Synonyms: [(E)-hex-3-enyl] hexanoate , hexanoic acid [(E)-hex-3-enyl] ester
Smiles: CCCCCC(=O)OCC/C=C/CC
InChi : 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+
InChi Key : InChIKey=RGACQXBDYBCJCY-FNORWQNLSA-N
PubChem ID : 5352975
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.667105
Hydrogen bond donor count : 0 Electric dipole moment : 1.885
XLogP : 4.173 VDW volume : 228.41581
Molecular weight : 198.16198 HOMO-LUMO gap : 10.837000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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