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ScientificNameLabel
2-hexanone
PHCD compound ID : 2280
Chemical Names :
Hexan-2-one , 2-hexanone
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: hexan-2-one , 2-hexanone
Smiles: CCCCC(=O)C
InChi : InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChi Key : InChIKey=QQZOPKMRPOGIEB-UHFFFAOYSA-N
PubChem ID : 11583
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.111378
Hydrogen bond donor count : 0 Electric dipole moment : 3.114
XLogP : 1.576 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 11.061000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
383.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'186'      DOI:'10.1080/10412905.2004'      Title:'Chemical Composition of the Essential Oil of Zingiber officinale Roscoe L. from Cuba'
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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