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ScientificNameLabel
n-Nonanoate
PHCD compound ID : 2074
Chemical Names :
n-Nonanoate
Molecular Formula : C9H17O2
Molecular Weight : 157.122855
More Details :
Names & Synonyms: nonanoate , pelargonate
Smiles: CCCCCCCCC(=O)[O-]
InChi : InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1
InChi Key : InChIKey=FBUKVWPVBMHYJY-UHFFFAOYSA-M
PubChem ID : 5461016
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 4.305166
Hydrogen bond donor count : 0 Electric dipole moment : 21.270
XLogP : 3.106 VDW volume : 177.846086
Molecular weight : 157.122855 HOMO-LUMO gap : 10.140000
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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