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Computational_Chemistry:
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['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 465 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 118 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '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 透明易流动Liquid 。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）5 ', '4 . Melting point（ºC）-12 ', '5 . Boiling point（ºC, 1333kPa）95 ', '6 . Boiling point（ºC, 067kPa）85～86 ', '7 . Refractive index14505 ', '8 . Flash point（开杯，ºC）108 ', '9 相对. Density（20/4ºC）1074 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（25ºC）001 mm Hg ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '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 Soluble in 普通有机溶剂，与Water 混溶。']
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