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ScientificNameLabel
4-Methyl-2-pentanone
PHCD compound ID : 2814
Chemical Names :
4-Methyl-2-pentanone
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: 4-methylpentan-2-one , 4-methyl-2-pentanone
Smiles: CC(CC(=O)C)C
InChi : InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChi Key : InChIKey=NTIZESTWPVYFNL-UHFFFAOYSA-N
PubChem ID : 7909
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.065262
Hydrogen bond donor count : 0 Electric dipole moment : 3.156
XLogP : 1.515 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 11.047000
Herb list :
Refrences & Litretures:
  
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'
552.      Journal:'Radiation Physics and Chemistry'      Year:'2009'      Volume:'78'      Page:'407'      DOI:'10.1016/j.radphyschem.2009.03.008'      Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
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