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ScientificNameLabel
3-Penten-2-one
PHCD compound ID : 2262
Chemical Names :
Pent-3-en-2-one , 3-Penten-2-one
Molecular Formula : C5H8O1
Molecular Weight : 84.057515
More Details :
Names & Synonyms: pent-3-en-2-one , 3-penten-2-one
Smiles: C/C=C/C(=O)C
InChi : InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
InChi Key : InChIKey=LABTWGUMFABVFG-ONEGZZNKSA-N
PubChem ID : 12248
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.074208
Hydrogen bond donor count : 0 Electric dipole moment : 3.279
XLogP : 0.998 VDW volume : 98.553691
Molecular weight : 84.057515 HOMO-LUMO gap : 10.058000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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'
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