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6-Octadecenoic acid,methyl ester
PHCD compound ID : 4417
Chemical Names :
6-Octadecenoic acid,methyl ester
Molecular Formula : C19H36O2
Molecular Weight : 296.27153
More Details :
Names & Synonyms: methyl (E)-octadec-6-enoate , (E)-6-octadecenoic acid methyl ester , (E)-octadec-6-enoic acid methyl ester
Smiles: CCCCCCCCCCC/C=C/CCCCC(=O)OC
InChi : InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+
InChi Key : InChIKey=QRTVDKVXAFJVRU-BUHFOSPRSA-N
PubChem ID : 5366845
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.493164
Hydrogen bond donor count : 0 Electric dipole moment : 1.473
XLogP : 8.513 VDW volume : 349.487703
Molecular weight : 296.27153 HOMO-LUMO gap : 10.689000
Herb list :
Refrences & Litretures:
  
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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