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Computational_Chemistry:
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['1. XlogP :11 ', '2. Hydrogen Bond Donor Count 6 ', '3. Hydrogen Bond Acceptor Count 11 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count 10 ', '6. TPSA :183 ', '7. Heavy Atom Count 32 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 748 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 5 ', '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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More_Info:
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['1. Appearance Yellow 针状结晶。 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）231-233 ', '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）-85 º (c=1, DMSO) ', '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 易Soluble in 二甲基甲酰胺吡啶，微Soluble in 热醋酸，难Soluble in 甲醇 Ethanol 丙酮，几乎Insoluble in Water Ethyl ether 苯氯仿，在酸中溶解度小，不易被酸Water 解。']
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