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Computational_Chemistry:
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['1 计. XlogP -13 ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 168 ', '6 . TPSA 182 ', '7 . Heavy Atom Count 32 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 971 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 5 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 浅Yellow 结晶。无气味。遇光色渐变深。真空下，60℃干燥8小时成为无Water 物。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）170～175分解 ', '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）[α]D25 －2579°（01mol/L盐酸中） ', '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 约28℃溶解度Water 中17mg/ml，甲醇中＞20mg/ml。在中性and 碱性溶液中稳定。165℃时熔胀']
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