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ScientificNameLabel
3-Pentenone
PHCD compound ID : 3053
Chemical Names :
1-Penten-3-one , 3-Pentenone
Molecular Formula : C5H8O1
Molecular Weight : 84.057515
More Details :
Names & Synonyms: pent-1-en-3-one , 1-penten-3-one
Smiles: CCC(=O)C=C
InChi : InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InChi Key : InChIKey=JLIDVCMBCGBIEY-UHFFFAOYSA-N
PubChem ID : 15394
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.074510
Hydrogen bond donor count : 0 Electric dipole moment : 2.686
XLogP : 0.727 VDW volume : 98.553691
Molecular weight : 84.057515 HOMO-LUMO gap : 9.934000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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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