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Computational_Chemistry:
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['1 计. XlogP 03 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 784 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 298 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 3 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless 细长针状结晶。纯品在室温及Atmosphere 中稳定。在中性or 中等酸性溶液中能稳定数月，碱溶液中不稳定，Water 溶液易长霉菌，酸溶液可加热灭菌。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）232～233 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º）+91°（C＝1，01mol/L氢氧化钠溶液中） ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）Unknow ', '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 易Soluble in 热Water and 稀碱液，Insoluble in 其他一般有机溶剂。']
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