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ScientificNameLabel
ethyl nonanoate
PHCD compound ID : 1608
Chemical Names :
ethyl nonanoate , ethyl pelargonate
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: ethyl nonanoate , nonanoic acid ethyl ester , pelargonic acid ethyl ester
Smiles: CCCCCCCCC(=O)OCC
InChi : InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChi Key : InChIKey=BYEVBITUADOIGY-UHFFFAOYSA-N
PubChem ID : 31251
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.730764
Hydrogen bond donor count : 0 Electric dipole moment : 1.964
XLogP : 4.331 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.925000
Herb list :
Refrences & Litretures:
  
179.      Journal:'Journal of Essential Oil Research'      Year:'1998'      Volume:'10'      Page:'427'      DOI:'10.1080/10412905.1998.9700934'      Title:'Chemical Composition of the Leaf Oil of Achillea millefolium L. Grown in Cuba'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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