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Computational_Chemistry:
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['1 . XlogP 36 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 12 ', '6 . Heavy Atom Count 17 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 180 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . 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℃）0987 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）260 ', '5 . Boiling point（ºC,Atmospheric pressure）86/005mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index15525 ', '8 . Flash point（ºC）>113 ', '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 无可用']
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