Computational_Chemistry:
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['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :193 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density(g/mL,25/4℃) 097 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)无可用 ', '5 . Boiling point(ºC,Atmospheric pressure)110-112 ', '6 . Boiling point(ºC,52kPa) 无可用 ', '7 . Refractive index14220 ', '8 . Flash point(ºC) 225 ', '9 . Specific rotation(º) 无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC) 无可用 ', '11 . Vapor pressure(kPa,25ºC) 无可用 ', '12 . Saturated vapor pressure(kPa,60ºC) 无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC) 无可用 ', '15 . Critical pressure(KPa) 无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V) 无可用 ', '19 . Solubility 难Soluble in Water 。']
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