More_Info:
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['1. Appearance White 结晶粉末,有特殊气味,具有吸湿性。 ', '2. Density(g/mL,20℃)1632 ', '3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)175 ', '5. Boiling point(ºC,Atmospheric pressure)268(升华) ', '6晶相相标准. Combustion heat(焓)(kJ·mol-1)-198393 ', '7晶相标准声称热(焓)( kJ·mol-1)-84111 ', '8. Flash point(ºC)1987 ', '9. Specific rotation(º)Unknow ', '10. Spontaneous ignition point or ignition temperature(ºC): 800 ', '11. Vapor pressure(mmHg,ºC)Unknow ', '12. Saturated vapor pressure(kPa, ºC)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 微Soluble in 苯氯仿 Ethyl ether 石油醚二硫化碳,Soluble in Water Ethanol 丙酮。']
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Computational_Chemistry:
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['1 . XlogP -01 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 746 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 158 ', '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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