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Computational_Chemistry:
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['1 . TPSA 405 ', '2 . Heavy Atom Count 6 ', '3 . Topological Polar Surface Area 0 ', '4 . Complexity 348 ', '5 . Isotope Atom Count 0 ', '6 . Defined Atom Stereocenter Count 0 ', '7 . Undefined Atom Stereocenter Count 0 ', '8 . Defined Bond Stereocenter Count 1 ', '9 . Undefined Bond Stereocenter Count 0 ', '10 . XlogP -08 ', '11 . Hydrogen Bond Donor Count 2 ', '12 . Hydrogen Bond Acceptor Count 2 ', '13 . Rotatable Bond Count 2']
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More_Info:
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['1 . Appearance Yellow 透明Liquid ', '2 . Density（g/mL,20℃）1072 ', '3相对. Density（20℃，4℃）1080 ', '4 . Melting point（ºC）2 ', '5 . Boiling point（ºC,Atmospheric pressure）235 ', '6 常温. Refractive index（n20）1478 ', '7 . Refractive index(n20D) 1479 ', '8 . Flash point（ºC）128 ', '9常温. Refractive index（n25）14716 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 Soluble in Water 。Soluble in Ethanol ，丙酮，微Soluble in 苯。']
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