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ScientificNameLabel
Methyl nonanoate
PHCD compound ID : 2338
Chemical Names :
Methyl nonanoate , Nonanoic acid, methyl ester( Nonanoic acid)
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: methyl nonanoate , nonanoic acid methyl ester , pelargonic acid methyl ester
Smiles: CCCCCCCCC(=O)OC
InChi : InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChi Key : InChIKey=IJXHLVMUNBOGRR-UHFFFAOYSA-N
PubChem ID : 15606
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.796848
Hydrogen bond donor count : 0 Electric dipole moment : 1.736
XLogP : 3.908 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.924000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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