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9,12-Octadecadienoic acid,methyl ester
PHCD compound ID : 2573
Chemical Names :
9,12-Octadecadienoic acid(omega-6), methyl ester(9,12-Octadecadienoic acid) , 9,12-Octadecadienoic acid,methyl ester
Molecular Formula : C19H34O2
Molecular Weight : 294.25588
More Details :
Names & Synonyms: methyl octadeca-9,12-dienoate , octadeca-9,12-dienoic acid methyl ester
Smiles: CCCCC/C=C/C/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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
InChi Key : InChIKey=WTTJVINHCBCLGX-ZDVGBALWSA-N
PubChem ID : 8203
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.446525
Hydrogen bond donor count : 0 Electric dipole moment : 1.735
XLogP : 8.186 VDW volume : 346.851244
Molecular weight : 294.25588 HOMO-LUMO gap : 10.435000
Herb list :
Refrences & Litretures:
  
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
519.      Journal:'International Journal of Technology Enhancements and Emerging Engineering Research'      Year:'2014'      Volume:'2'      Page:'120'      DOI:''      Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
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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