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Computational_Chemistry:
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['1. XlogP 34 ', '2. Hydrogen Bond Donor Count 3 ', '3. Hydrogen Bond Acceptor Count 5 ', '4. Rotatable Bond Count 2 ', '5. Isotope Atom Count 2 ', '6. TPSA ；959 ', '7. Heavy Atom Count 35 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 859 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 6 ', '12. Undefined Atom Stereocenter Count 2 ', '13. Defined Bond Stereocenter Count 2 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['1. Appearance White 粉末 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）218-223 ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '9. Specific rotation（º）Unknow ', '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 Insoluble in Water 。 ', ' 溶解度103 mg/mL丙酮，354 mg/mL Ethanol ，371 mg/mLDMSO，492 mg/mLDMF（24℃）。']
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