Computational_Chemistry:
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['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 8 ', '6 . TPSA 149 ', '7 . Heavy Atom Count 30 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 559 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 5 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 结晶。有亮蓝色荧光。 2 . Density(g/mL,25 ℃ )Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow 4 . Melting point(ºC)236-237 5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,1mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºCUnknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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 稀 Ethanol 热丙酮and 热Water ,微Soluble in Ethyl ether Ethanol 丙酮and 冷Water ,几乎Insoluble in 苯石油醚and 氯仿。']
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