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ScientificNameLabel
(E)-2-Hexen-1-yl propanoate
PHCD compound ID : 3472
Chemical Names :
(E)-2-Hexen-1-yl propanoate
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: [(E)-hex-2-enyl] propanoate , propanoic acid [(E)-hex-2-enyl] ester , propionic acid [(E)-hex-2-enyl] ester
Smiles: CCC/C=C/COC(=O)CC
InChi : InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChi Key : InChIKey=LPWKTEHEFDVAQS-VOTSOKGWSA-N
PubChem ID : 5352463
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.836800
Hydrogen bond donor count : 0 Electric dipole moment : 1.987
XLogP : 2.666 VDW volume : 176.527856
Molecular weight : 156.11503 HOMO-LUMO gap : 10.764000
Herb list :
Refrences & Litretures:
  
485.      Journal:'J Chem Ecol'      Year:'2006'      Volume:'32'      Page:'2303'      DOI:'10.1007/s10886-006-9146-4'      Title:'Volatile Emissions from Aesculus hippocastanum Induced by Mining of Larval Stages of Cameraria ohridella Influence Oviposition by Conspecific Females'
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