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ScientificNameLabel
Methyl elaidate
PHCD compound ID : 2343
Chemical Names :
Methyl octadec-9-enoate , Methyl elaidate
Molecular Formula : C19H36O2
Molecular Weight : 296.27153
More Details :
Names & Synonyms: methyl (E)-octadec-9-enoate , (E)-9-octadecenoic acid methyl ester , (E)-octadec-9-enoic acid methyl ester
Smiles: CCCCCCCC/C=C/CCCCCCCC(=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/h10-11H,3-9,12-18H2,1-2H3/b11-10+
InChi Key : InChIKey=QYDYPVFESGNLHU-ZHACJKMWSA-N
PubChem ID : 5280590
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.498065
Hydrogen bond donor count : 0 Electric dipole moment : 1.989
XLogP : 8.513 VDW volume : 349.487703
Molecular weight : 296.27153 HOMO-LUMO gap : 10.631000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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