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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 9 ', '2 . Hydrogen Bond Acceptor Count 21 ', '3 . Rotatable Bond Count 16 ', '4 . Isotope Atom Count 128 ', '5 . TPSA 476 ', '6 . Heavy Atom Count 93 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 3220 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 12 ', '11 . Undefined Atom Stereocenter Count 2 ', '12 . Defined Bond Stereocenter Count 3 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 3']
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More_Info:
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['1 . Appearance 深红色结晶or 结晶性粉末。无臭，无味，吸湿性强，210～220℃变黑 2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）210～220℃(碳化变黑)。 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 9 . Specific rotation（º）［α］20D为-59°±9°（H2O）。 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 微Soluble in Water and Ethanol ，Insoluble in 丙酮氯仿or Ethyl ether ']
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