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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :867 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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 Unknow ', '2 相对. Density（25℃，4℃）091673 ', '3 相对. Density（20℃，4℃）09581 ', '4 . Melting point（ºC）42 ', '5 . Boiling point（ºC,Atmospheric pressure）196 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 常温. Refractive index（n20）14694 ', '8 . Flash point（ºF）163 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-48773 ', '10 气相标准声称热(焓)( kJ·mol-1) -2716 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-48229 ', '12 液相标准声称热(焓)( kJ·mol-1)-3260 ', '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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