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Computational_Chemistry:
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['1 疏水参数计算参考值（XlogP3-AA）02 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 746 ', '6 . Heavy Atom Count 10 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 168 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 2 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance White 棱柱形结晶 2 . Density d （ g/mL,25/4 ℃ ）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting pointmp（ºC）301 ', '5 . Boiling point（ºC,Atmospheric pressure）320 ', '6 . Boiling pointbp（ºC,15mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash pointfp（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 1g能Soluble in 约5L15℃Water ，Soluble in 热 Ethanol 冰乙酸']
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