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ScientificNameLabel
4-Penten-2-one.4-methyl-
PHCD compound ID : 3795
Chemical Names :
4-Penten-2-one.4-methyl-
Molecular Formula : C6H10O1
Molecular Weight : 98.073165
More Details :
Names & Synonyms: 4-methylpent-4-en-2-one , 4-methyl-4-penten-2-one
Smiles: CC(=C)CC(=O)C
InChi : InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3
InChi Key : InChIKey=VADUDTKCGJKNDY-UHFFFAOYSA-N
PubChem ID : 19543
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.841282
Hydrogen bond donor count : 0 Electric dipole moment : 2.439
XLogP : 0.892 VDW volume : 115.849676
Molecular weight : 98.073165 HOMO-LUMO gap : 10.481000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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