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ScientificNameLabel
n-Nnacosanate
PHCD compound ID : 2085
Chemical Names :
n-Nnacosanate
Molecular Formula : C29H58O2
Molecular Weight : 438.443681
More Details :
Names & Synonyms: nonacosanoic acid
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChi : InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)
InChi Key : InChIKey=IHEJEKZAKSNRLY-UHFFFAOYSA-N
PubChem ID : 20245
Rotatable bond count : 27 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.553590
Hydrogen bond donor count : 1 Electric dipole moment : 1.534
XLogP : 14.967 VDW volume : 525.084008
Molecular weight : 438.443681 HOMO-LUMO gap : 11.631000
Herb list :
Refrences & Litretures:
  
249.      Journal:'Pak. J. Bot'      Year:'2008'      Volume:'40'      Page:'2553'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF TAMARINDUS INDICA L. MEDICINAL PLANT IN SINDH'
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