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ScientificNameLabel
cis-11,14-eicosadienoic acid
PHCD compound ID : 1821
Chemical Names :
cis-11,14-eicosadienoic acid
Molecular Formula : C20H36O2
Molecular Weight : 308.27153
More Details :
Names & Synonyms: icosa-11,14-dienoic acid , eicosa-11,14-dienoic acid
Smiles: CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O
InChi : InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6+,10-9+
InChi Key : InChIKey=XSXIVVZCUAHUJO-AVQMFFATSA-N
PubChem ID : 3208
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.507752
Hydrogen bond donor count : 1 Electric dipole moment : 1.891
XLogP : 9.003 VDW volume : 364.147229
Molecular weight : 308.27153 HOMO-LUMO gap : 10.448000
Herb list :
Refrences & Litretures:
  
209.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1466'      DOI:'10.1016/j.fct.2010.03.012'      Title:'Leaves, ?owers, immature fruits and leafy ?owered stems of Malva sylvestris: A comparative study of the nutraceutical potential and composition'
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