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Computational_Chemistry:
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['1. XlogP : ', '2. Hydrogen Bond Donor Count 12 ', '3. Hydrogen Bond Acceptor Count 14 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count 2 ', '6. TPSA :135 ', '7. Heavy Atom Count 30 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 478 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 9 ', '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 Colourless 针状结晶。 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）205-207 ', '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 Soluble in Water 甲醇丙二醇and 01mol/L氢氧化钠，Soluble in 01mol盐酸中（＞20mg/ml），极微Soluble in 苯氯仿 Ethanol and 丙酮。']
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