Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 434 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :342 ', '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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['一物性数据 ', '1 . Appearance 黑灰色六方晶系or 斜方晶系粉末。 ', '2 . Density(g/mL,25/4℃)611 ', '3 . Relative vapor density(g/mL,Atmosphere =1) ', '4 . Melting point(ºC)895 ', '5 . Boiling point(ºC,Atmospheric pressure) ', '6 . Boiling point(ºC,52kPa) ', '7 . Refractive index ', '8 . Flash point(ºC) ', '9 . Specific rotation(º) ', '10 . Spontaneous ignition point or ignition temperature(ºC) ', '11 . Vapor pressure(kPa,25ºC) ', '12 . Saturated vapor pressure(kPa,60ºC) ', '13 . Combustion heat(KJ/mol) ', '14 . Critical temperature(ºC) ', '15 . Critical pressure(KPa) ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion(%,V/V) ', '18 . Lower limit of explosion(%,V/V) ', '19 . Solubility Insoluble in Water Ethanol ,Soluble in 酸。']
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