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ScientificNameLabel
3-Methyl-2-pentanone
PHCD compound ID : 2815
Chemical Names :
3-Methyl-2-pentanone
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: 3-methylpentan-2-one , 3-methyl-2-pentanone
Smiles: CC[C@H](C(=O)C)C
InChi : InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3/t5-/m1/s1
InChi Key : InChIKey=UIHCLUNTQKBZGK-RXMQYKEDSA-N
PubChem ID : 11262
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.916867
Hydrogen bond donor count : 0 Electric dipole moment : 2.991
XLogP : 1.3 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 10.919000
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'
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