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More_Info:
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['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）266-267°C(lit)5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）Unknow 7 . Refractive index -128 º (c=5, H2O) 8 . Flash point（ºC） Unknow 9 . Specific rotation（º） -128 º (c=5, H2O) 10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）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）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility 210 g/L (20 ºC)']
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Computational_Chemistry:
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['1. XlogP : ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count ', '6. TPSA :156 ', '7. Heavy Atom Count 15 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 246 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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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