Computational_Chemistry:
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['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 465 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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 White to 微Yellow 针状结晶or 结晶性粉末。 ', '2 . Density(g/mL,25℃)1046 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)160-164 ', '5 . Boiling point(ºC,Atmospheric pressure)205 ', '6 . Boiling point(ºC,kPa)Unknow ', '7 . Refractive index1541 ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)740 ', '11 . Vapor pressure(mmHg,25ºC)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)25 ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Soluble in 热Water 氯仿 Ethanol ,微Soluble in 苯 Ethyl ether ,Insoluble in 石油醚。']
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