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Methyl octadeca-9,12,15-trienoate
PHCD compound ID : 2344
Chemical Names :
Methyl octadeca-9,12,15-trienoate
Molecular Formula : C19H32O2
Molecular Weight : 292.24023
More Details :
Names & Synonyms: methyl octadeca-9,12,15-trienoate , octadeca-9,12,15-trienoic acid methyl ester
Smiles: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC
InChi : InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4+,8-7+,11-10+
InChi Key : InChIKey=DVWSXZIHSUZZKJ-JSIPCRQOSA-N
PubChem ID : 9316
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.559844
Hydrogen bond donor count : 0 Electric dipole moment : 1.749
XLogP : 7.859 VDW volume : 344.214785
Molecular weight : 292.24023 HOMO-LUMO gap : 10.495000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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