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Computational_Chemistry:
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['1 . XlogP -17 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 633 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 103 ', '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 White 结晶小片or 结晶性粉末,在 Ethanol 中结晶可形成菱形叶片or 片状晶体。无臭,略有苦味。 2 . Density（g/mL,25/4℃）1035 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）284 (dec)(lit) ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 52 kPa）不确定 ', '7 . Refractive index405 ° (C=4, 6mol/L HCl) ', '8 . Flash point（ºC）168-170 ', '9 . Specific rotation（º）41 º (c=4, 6N HCl) ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25 ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60 ºC）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 在Water 中的溶解度为412克/升（25℃），难Soluble in 热醇（80℃为013%）and 热乙酸，Insoluble in 醚']
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