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9,15-Octadienoic methyl ester
PHCD compound ID : 2422
Chemical Names :
9,15-Octadienoic methyl ester
Molecular Formula : C19H34O2
Molecular Weight : 294.25588
More Details :
Names & Synonyms: methyl (9Z,15Z)-octadeca-9,15-dienoate , (9Z,15Z)-octadeca-9,15-dienoic acid methyl ester
Smiles: CC/C=C\CCCC/C=C\CCCCCCCC(=O)OC
InChi : InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4-,11-10-
InChi Key : InChIKey=OTROKOXHZSGHEN-NKIGAPEHSA-N
PubChem ID : 13639290
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.470077
Hydrogen bond donor count : 0 Electric dipole moment : 2.371
XLogP : 7.997 VDW volume : 346.851244
Molecular weight : 294.25588 HOMO-LUMO gap : 10.633000
Herb list :
Refrences & Litretures:
  
269.      Journal:'Zeitschrift fur Naturforschung C'      Year:'1998'      Volume:'53'      Page:'811'      DOI:''      Title:'Chemical Constituents from Shoots of Hordeum vulgare Infested by the Aphid Schizaphis graminum'
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