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ScientificNameLabel
Ethyllinoleate
PHCD compound ID : 3555
Chemical Names :
Ethyllinoleate
Molecular Formula : C20H36O2
Molecular Weight : 308.27153
More Details :
Names & Synonyms: ethyl octadeca-9,12-dienoate , octadeca-9,12-dienoic acid ethyl ester
Smiles: CCCCCC=CCC=CCCCCCCCC(=O)OCC
InChi : InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3
InChi Key : InChIKey=FMMOOAYVCKXGMF-UHFFFAOYSA-N
PubChem ID : 11001
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.614918
Hydrogen bond donor count : 0 Electric dipole moment : 1.660
XLogP : 8.609 VDW volume : 364.147229
Molecular weight : 308.27153 HOMO-LUMO gap : 10.706000
Herb list :
Refrences & Litretures:
  
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
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