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More_Info:
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['一物性数据 ', '1. Appearance 从冰醋酸中得棱晶，真空升华得叶状体。 ', '2. Density（g/mL,25/4℃）1563 ', '3. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '4. Melting point（ºC）276 ', '5. Boiling point（ºC,Atmospheric pressure）4679 ', '6. Boiling point（ºC,52kPa）不可用 ', '7. Refractive index不可用 ', '8. Flash point（ºC）2014 ', '9. Specific rotation（º）不可用 ', '10. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11. Vapor pressure（kPa,25ºC）不可用 ', '12. Saturated vapor pressure（kPa,60ºC）不可用 ', '13. Combustion heat（KJ/mol）不可用 ', '14. Critical temperature（ºC）不可用 ', '15. Critical pressure（KPa）不可用 ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17. Upper limit of explosion（%,V/V）不可用 ', '18. Lower limit of explosion（%,V/V）不可用 ', '19. Solubility Soluble in Ethanol and 稀碱溶液，微Soluble in Water Ethanol and 乙酸乙酯，Insoluble in Ethyl ether and 氯仿']
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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 :14 ', '6. TPSA 668 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :248 ', '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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