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ScientificNameLabel
Methyl nonenoate
PHCD compound ID : 2389
Chemical Names :
Methyl (E)-non-2-enoate , Methyl nonenoate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: methyl (E)-non-2-enoate , (E)-2-nonenoic acid methyl ester , (E)-non-2-enoic acid methyl ester
Smiles: CCCCCC/C=C/C(=O)OC
InChi : InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
InChi Key : InChIKey=ZWNPUELCBZVMDA-CMDGGOBGSA-N
PubChem ID : 5368076
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.567118
Hydrogen bond donor count : 0 Electric dipole moment : 2.166
XLogP : 3.797 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.465000
Herb list :
Refrences & Litretures:
  
267.      Journal:'J Chem Ecol'      Year:'2013'      Volume:'39'      Page:'1129'      DOI:'10.1007/s10886-013-0302-3'      Title:'Characterization of Volatile Organic Compounds Emitted by Barley (Hordeum vulgare L.) Roots and Their Attractiveness to Wireworms'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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