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ScientificNameLabel
Linolenyl alcohol
PHCD compound ID : 2605
Chemical Names :
Linolenyl alcohol
Molecular Formula : C18H32O1
Molecular Weight : 264.245316
More Details :
Names & Synonyms: (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol , (9Z,12Z,15Z)-1-octadeca-9,12,15-trienol
Smiles: OCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChi : InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChi Key : InChIKey=IKYKEVDKGZYRMQ-PDBXOOCHSA-N
PubChem ID : 6436081
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 9.589999
Hydrogen bond donor count : 1 Electric dipole moment : 1.593
XLogP : 7.647 VDW volume : 320.765033
Molecular weight : 264.245316 HOMO-LUMO gap : 10.623000
Herb list :
Refrences & Litretures:
  
303.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'557'      DOI:''      Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
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