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Computational_Chemistry:
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['1 . XlogP -1 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 991 ', '7 . Heavy Atom Count 17 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 374 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 4 ', '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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Molecular_Structure:
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['1 . Molar refractive index 5214 ', '2 . Molar volume （m3/mol）1508 ', '3 . Parachor （902K）4393 ', '4 . Surface tension 720 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2067']
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index53 ° (C=03, H2O) ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '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 Unknow']
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