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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 0 ', '2 . Hydrogen Bond Acceptor Count 0 ', '3 . Rotatable Bond Count 2 ', '4 . TPSA 0 ', '5 . Heavy Atom Count 15 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 174 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 0 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless 易燃Liquid ', '2 . Density（g/mL,20℃）12216 ', '3 . Relative vapor density（g/mL,Atmosphere =1）845 ', '4 . Melting point（ºC）-22 ', '5 . Boiling point（ºC,Atmospheric pressure）302～305 ', '6 . Boiling point（ºC,03mmHg）Unknow ', '7 . Refractive index(n20/D)1578（lit） ', '8 . Flash point（ºC）1422 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,40ºC）Unknow ', '12 . Saturated vapor pressure（kPa,125ºC）027 ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in 多数有机溶剂']
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