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ScientificNameLabel
3-Penten-2-one.5.5.5-trichloro-.(E)-
PHCD compound ID : 3756
Chemical Names :
3-Penten-2-one.5.5.5-trichloro-.(E)-
Molecular Formula : C5H5Cl3O1
Molecular Weight : 185.940598
More Details :
Names & Synonyms: (E)-5,5,5-trichloropent-3-en-2-one , (E)-5,5,5-trichloro-3-penten-2-one , (E)-5,5,5-tris(chloranyl)pent-3-en-2-one
Smiles: CC(=O)/C=C/C(Cl)(Cl)Cl
InChi : InChI=1S/C5H5Cl3O/c1-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
InChi Key : InChIKey=WYTWCHDMETZZSN-NSCUHMNNSA-N
PubChem ID : 5363852
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.789621
Hydrogen bond donor count : 0 Electric dipole moment : 2.900
XLogP : 1.897 VDW volume : 144.186894
Molecular weight : 185.940598 HOMO-LUMO gap : 9.376000
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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