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Computational_Chemistry:
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['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 434 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 187 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 2 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless 澄清粘性Liquid ，在35 -36 ℃ 时凝固成玻璃状Solid 。 ', '2 . Density（g/mL, 25 ℃ ）123 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）31-36 ', '5 . Boiling point（ºC,Atmospheric pressure）296 ', '6 . Boiling point（ºC，227KPa）158 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）151 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）Unknow ', '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 能与苯；甲苯；丙酮；四氯化碳；氯仿； Ethanol and 乙酸乙酯混溶，微Soluble in 石油醚。']
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