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Computational_Chemistry:
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['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 202 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 168 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '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 Colourless 黏稠Liquid ，有类似紫丁香的气味。 2常温. Refractive index（n ', '20）14831 3 相对. Density（20℃，4℃）09337 ', '4 . Melting point（ºC）31~35 ', '5 . Boiling point（ºC,Atmospheric pressure）217~218 ', '6 . Boiling point（ºC,1333kPa） 149 ', '7 . Refractive index（20ºC）14831 ', '8 . Flash point（ºC）88 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）61504~61965 ', '14 . Critical temperature（ºC）无可用 ', '15 溶解度（%,20ºC,Water ）05 ', '16 电导率（S/m）17×10-9 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V） 无可用 ', '19 . Solubility 几乎Insoluble in Water ，Soluble in 醇and 醚等有机溶剂中。']
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