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More_Info:
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['1 . Appearance White 细微结晶粉末。有刺激性臭味 ', '2 . Density（g/mL ,25℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）110-111 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 20 mmHg）不确定 ', '7 . Refractive index（nD20）不确定 ', '8 . Flash point（°F）不确定 ', '9 . Specific rotation（º, C=1, Water ）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 易Soluble in Ethanol ， Ethyl ether ，丙酮，氯仿等有机溶剂，几乎Insoluble in Water ']
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Computational_Chemistry:
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['1 . XlogP 42 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 18 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 286 ', '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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