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More_Info:
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['一物性数据 ', '. Appearance 灰色针状结晶 ', '. Density（g/mL,25/4℃）不可用 ', '. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '. Melting point（ºC）231-233 ', '. Boiling point（ºC,Atmospheric pressure）不可用 ', '. Boiling point（ºC,52kPa）不可用 ', '. Refractive index不可用 ', '. Flash point（ºC）不可用 ', '. Specific rotation（º）不可用 ', '. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '. Vapor pressure（kPa,25ºC）不可用 ', '. Saturated vapor pressure（kPa,60ºC）不可用 ', '. Combustion heat（KJ/mol）不可用 ', '. Critical temperature（ºC）不可用 ', '. Critical pressure（KPa）不可用 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility Soluble in 氢氧化碱or 碳酸碱溶液，Insoluble in Water Ethanol and 其他有机溶剂，但Soluble in 无机酸or 碱的 Ethanol 溶液中。']
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Computational_Chemistry:
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['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :2 ', '6. TPSA 928 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :420 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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