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Computational_Chemistry:
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['1 . XlogP 11 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 373 ', '7 . Heavy Atom Count 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 103 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '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 无 ', '2 . Density（g/mL,25/4℃）1039 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无 ', '4 . Melting point（ºC）79 ', '5 . Boiling point（ºC,Atmospheric pressure）112（dec） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index无 ', '8 . Flash point（ºC）1215 ', '9 . Specific rotation（º）无 ', '10 . Spontaneous ignition point or ignition temperature（ºC） 无 ', '11 . Vapor pressure（kPa,25ºC）无 ', '12 . Saturated vapor pressure（kPa,60ºC）无 ', '13 . Combustion heat（KJ/mol）无 ', '14 . Critical temperature（ºC） 无 ', '15 . Critical pressure（KPa） 无 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无 ', '17 . Upper limit of explosion（%,V/V）无 ', '18 . Lower limit of explosion（%,V/V） 无 ', '19 . Solubility 无']
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