Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 806 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :619 ', '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 :2']
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More_Info:
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['一物性数据 ', '1. Appearance Colourless 四方晶体or White 结晶性粉末。 ', '2. Density(g/mL,25/4℃)2338 ', '3. Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4. Melting point(ºC)2526 ', '5. Boiling point(ºC,067kpaor 5 mmHg)不确定 ', '6. Refractive index不确定 ', '7. Flash point(ºC)不确定 ', '8. Specific rotation(ºC)不确定 ', '9. Spontaneous ignition point or ignition temperature(ºC)不确定 ', '10. Vapor pressure(kPa,25ºC)不确定 ', '11. Saturated vapor pressure(kPa,60ºC)不确定 ', '12. Combustion heat(KJ/mol)不确定 ', '13. Critical temperature(ºC)不确定 ', '14. Critical pressure(KPa)不确定 ', '15. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '16. Upper limit of explosion(%,V/V)不确定 ', '17. Lower limit of explosion(%,V/V)不确定 ', '18. Solubility Soluble in Water ,Water 溶液呈酸性,Insoluble in 醇。有潮解性。']
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