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Computational_Chemistry:
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['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 203 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :162 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '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 ', '2 . Density（g/mL,25/4℃）1001 ', '3 . Relative vapor density（g/mL,Atmosphere =1） ', '4 . Melting point（ºC）64 -65°C ', '5 . Boiling point（ºC,Atmospheric pressure）247 ', '6 . Boiling point（ºC,52kPa） ', '7 . Refractive index14760 ', '8 . Flash point（ºC）96 ', '9 . Specific rotation（º, C=45, 甲醇） ', '10 . Spontaneous ignition point or ignition temperature（ºC） ', '11 . Vapor pressure（kPa,25ºC） 003 ', '12 . Saturated vapor pressure（kPa,60ºC） ', '13 . Combustion heat（KJ/mol） ', '14 . Critical temperature（ºC） ', '15 . Critical pressure（KPa） ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion（%,V/V） ', '18 . Lower limit of explosion（%,V/V） ', '19 . Solubility 极易溶']
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