Computational_Chemistry:
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['1 . XlogP -37 ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 121 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 104 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '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 不含结晶Water 者为无吸湿性的White 结晶性粉末。含二分子结晶Water 的为风化性结晶,100℃失Water 。无臭,味甜。在Atmosphere 中稳定。 ', '2. Density(g/mL,20/4℃)1752 ', '3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)225-227℃(无Water 物),218℃(二Water 合物) ', '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)Unknow ', '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 Soluble in Water ,Insoluble in 无Water Ethanol Ethyl ether and 氯仿,其Water 溶液呈中性。']
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