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ScientificNameLabel
trans-2-hexenyl acetate
PHCD compound ID : 2275
Chemical Names :
trans-Hex-2-enyl acetate , trans-2-hexenyl acetate , (E)-2-Hexen-1-yl acetate
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: [(E)-hex-2-enyl] acetate , acetic acid [(E)-hex-2-enyl] ester , [(E)-hex-2-enyl] ethanoate
Smiles: CCC/C=C/COC(=O)C
InChi : InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChi Key : InChIKey=HRHOWZHRCRZVCU-AATRIKPKSA-N
PubChem ID : 2733294
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.861918
Hydrogen bond donor count : 0 Electric dipole moment : 2.171
XLogP : 2.413 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 10.765000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
464.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'7198'      DOI:'J. Agric. Food Chem'      Title:'Developmental and Varietal Differences in Volatile Ester Formation and Acetyl-CoA: Alcohol Acetyl Transferase Activities in Apple (Malus domestica Borkh.) Fruit'
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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