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(Z)-13-Eicosenoic acid
PHCD compound ID : 2568
Chemical Names :
(Z)-13-Eicosenoic acid
Molecular Formula : C20H38O2
Molecular Weight : 310.28718
More Details :
Names & Synonyms: (Z)-icos-13-enoic acid , (Z)-13-eicosenoic acid , (Z)-eicos-13-enoic acid
Smiles: CCCCCC/C=C/CCCCCCCCCCCC(=O)O
InChi : InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7+
InChi Key : InChIKey=URXZXNYJPAJJOQ-BQYQJAHWSA-N
PubChem ID : 5312518
Rotatable bond count : 17 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.480634
Hydrogen bond donor count : 1 Electric dipole moment : 1.841
XLogP : 9.33 VDW volume : 366.783687
Molecular weight : 310.28718 HOMO-LUMO gap : 10.447000
Herb list :
Refrences & Litretures:
  
298.      Journal:'Analytical Chemistry Letters'      Year:'2012'      Volume:'2'      Page:'363'      DOI:'10.1080/22297928.2012.10662621'      Title:'Chemical Composition of Fatty Acid from Different Parts of Descurainia Sophia L. Growing Wild in North of Iran'
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