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More_Info:
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['一物性数据 ', '. Appearance Colourless to 淡Yellow 结晶体 ', '. Density（g/mL,25/4℃）1295 ', '. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '. Melting point（ºC）37-41 ', '. Boiling point（ºC,Atmospheric pressure）80 ', '. Boiling point（ºC,52kPa）不可用 ', '. Refractive index1512-1514 . Flash point（ºC）75 . Specific rotation（º）不可用 ', '. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '. Vapor pressure（kPa,25ºC）不可用 ', '. Saturated vapor pressure（kPa,60ºC）不可用 ', '. Combustion heat（KJ/mol）不可用 ', '. Critical temperature（ºC）不可用 ', '. Critical pressure（KPa）不可用 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility 不可用']
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Computational_Chemistry:
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['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 26 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :871 ', '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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