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Computational_Chemistry:
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['1 . XlogP -06 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 586 ', '7 . Heavy Atom Count 4 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 252 ', '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 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1） ', '4 . Melting point（ºC）112-115 ', '5 . Boiling point（ºC,Atmospheric pressure） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index ', '8 . Flash point（ºC） ', '9 . Specific rotation（º） ', '10 . Spontaneous ignition point or ignition temperature（ºC） ', '11 . Vapor pressure（kPa,25ºC） ', '12 . Saturated vapor pressure（kPa,60ºC） ', '13 . Combustion heat（KJ/mol） ', '14 . Critical temperature（ºC） ', '15 . Critical pressure（KPa） ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion（%,V/V） ', '18 . Lower limit of explosion（%,V/V） ', '19 . Solubility ']
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