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Computational_Chemistry:
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['1 . XlogP -07 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 575 ', '6 . Heavy Atom Count 6 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 591 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '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 纯品为Colourless Liquid ，工业品为Colourless to 浅Yellow Liquid ，无气味。 ', '2 . Density（g/mL,25/4℃）1206 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）52~54 ', '5 . Boiling point（ºC,Atmospheric pressure）125 ', '6 . Boiling point（ºC,52kPa）82-85（ºC,0067-0133kpa） ', '7 . Refractive index(n20D)1426-1428 ', '8 . Flash point（ºC）＞110 ', '9 . Specific rotation（º）-135（º, C=25, 15N NaOH） ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 能与Water Ethanol 甘油混溶，微Soluble in Ethyl ether ，Insoluble in 氯仿二硫化碳and 石油醚。']
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