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ScientificNameLabel
(E)-2-Hexenoic acid methyl ester
PHCD compound ID : 3470
Chemical Names :
(E)-2-Hexenoic acid methyl ester
Molecular Formula : C7H12O2
Molecular Weight : 128.08373
More Details :
Names & Synonyms: methyl (E)-hex-2-enoate , (E)-2-hexenoic acid methyl ester , (E)-hex-2-enoic acid methyl ester
Smiles: CCC/C=C/C(=O)OC
InChi : InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+
InChi Key : InChIKey=GFUGBRNILVVWIE-AATRIKPKSA-N
PubChem ID : 5364409
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.570789
Hydrogen bond donor count : 0 Electric dipole moment : 2.181
XLogP : 2.09 VDW volume : 141.935887
Molecular weight : 128.08373 HOMO-LUMO gap : 10.467000
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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