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ScientificNameLabel
2-Methylpropyl nonanoate
PHCD compound ID : 2339
Chemical Names :
2-Methylpropyl nonanoate
Molecular Formula : C13H26O2
Molecular Weight : 214.19328
More Details :
Names & Synonyms: isobutyl nonanoate , nonanoic acid 2-methylpropyl ester , 2-methylpropyl nonanoate , pelargonic acid isobutyl ester
Smiles: CCCCCCCCC(=O)OCC(C)C
InChi : InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-11H2,1-3H3
InChi Key : InChIKey=NVVLMTNIHQHZPR-UHFFFAOYSA-N
PubChem ID : 169223
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.681171
Hydrogen bond donor count : 0 Electric dipole moment : 1.948
XLogP : 4.986 VDW volume : 248.348254
Molecular weight : 214.19328 HOMO-LUMO gap : 11.899000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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