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Computational_Chemistry:
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['1 . XlogP 34 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 544 ', '6 . Heavy Atom Count 25 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 616 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Yellow 结晶 ', '2 . Density（g/mL,20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）182~185 ', '5 . Boiling point（ºC,11 kPa）Unknow ', '6 . Boiling point（ºC,22mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）306 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC）2E-14 (25 C) ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）915 kJ/mol ', '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 微Soluble in Ethanol 丙酮乙酸乙酯or 氯仿，难Soluble in 甲醇，Insoluble in Water ']
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