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ScientificNameLabel
cis-Hex-3-enyl propanoate
PHCD compound ID : 2303
Chemical Names :
cis-Hex-3-enyl propanoate , (Z)-3-Hexen-1-yl propanoate
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] propanoate , propanoic acid [(Z)-hex-3-enyl] ester , propionic acid [(Z)-hex-3-enyl] ester
Smiles: CC/C=C\CCOC(=O)CC
InChi : InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChi Key : InChIKey=LGTLDEUQCOJGFP-WAYWQWQTSA-N
PubChem ID : 5365049
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.684203
Hydrogen bond donor count : 0 Electric dipole moment : 1.507
XLogP : 2.466 VDW volume : 176.527856
Molecular weight : 156.11503 HOMO-LUMO gap : 10.855000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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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