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Computational_Chemistry:
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['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :4 ', '6. TPSA 434 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :139 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '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 . Density（g/mLat 25°C）122 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）35 ', '5 . Boiling point（ºC,Atmospheric pressure）243 ', '6 . Boiling point（ºC,760mmHg）238-240 ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）＞110 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-22075 ', '10 液相标准声称热(焓)( kJ·mol-1)-6176 ', '11 晶相相标准. Combustion heat(焓)(kJ·mol-1)-22051 ', '12 晶相标准声称热(焓)( kJ·mol-1)-6200 ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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