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ScientificNameLabel
Methyl 1-methyl propanoate
PHCD compound ID : 2304
Chemical Names :
Methyl 1-methyl propanoate
Molecular Formula : C5H10O2
Molecular Weight : 102.06808
More Details :
Names & Synonyms: methyl 2-methylpropanoate , 2-methylpropanoic acid methyl ester , 2-methylpropionic acid methyl ester
Smiles: COC(=O)C(C)C
InChi : InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChi Key : InChIKey=BHIWKHZACMWKOJ-UHFFFAOYSA-N
PubChem ID : 11039
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.640629
Hydrogen bond donor count : 0 Electric dipole moment : 1.700
XLogP : 0.787 VDW volume : 109.980377
Molecular weight : 102.06808 HOMO-LUMO gap : 11.792000
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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