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Nonanoic Acid,9-oxo,methyl ester
PHCD compound ID : 2478
Chemical Names :
Nonanoic Acid,9-oxo,methyl ester , Nonanoic acid,9-oxo-,methyl ester
Molecular Formula : C10H18O3
Molecular Weight : 186.125594
More Details :
Names & Synonyms: methyl 9-oxononanoate , 9-oxononanoic acid methyl ester , methyl 9-oxidanylidenenonanoate , 9-ketopelargonic acid methyl ester
Smiles: O=CCCCCCCCC(=O)OC
InChi : InChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3
InChi Key : InChIKey=JMLYDLZRFNYHHO-UHFFFAOYSA-N
PubChem ID : 74732
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.196785
Hydrogen bond donor count : 0 Electric dipole moment : 4.589
XLogP : 2.448 VDW volume : 202.614068
Molecular weight : 186.125594 HOMO-LUMO gap : 10.868000
Herb list :
Refrences & Litretures:
  
286.      Journal:'Int J Pharm Pharm Sci'      Year:'2013'      Volume:'5'      Page:'617'      DOI:''      Title:'GC-MS ANALYSIS OF LAWSONIA INERMIS SEED OIL'
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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