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ScientificNameLabel
Heneicosanoic acid,methyl ester
PHCD compound ID : 2580
Chemical Names :
Heneicosanoic acid, methyl ester(Heneicosanoic acid) , Heneicosanoic acid,methyl ester
Molecular Formula : C22H44O2
Molecular Weight : 340.334131
More Details :
Names & Synonyms: methyl henicosanoate , heneicosanoic acid methyl ester
Smiles: CCCCCCCCCCCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
InChi Key : InChIKey=AJRICDSAJQHDSD-UHFFFAOYSA-N
PubChem ID : 22434
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.450440
Hydrogen bond donor count : 0 Electric dipole moment : 4.718
XLogP : 10.736 VDW volume : 404.012115
Molecular weight : 340.334131 HOMO-LUMO gap : 11.638000
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'
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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