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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 :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :849 ', '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 Liquid ', '2 . Density（g/mL,20ºC）109 ', '3 相对. Density（20℃，4℃）1125015 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）173 ', '6 . Boiling point（ºC，13mmHg）72-74 ', '7 . Refractive indexn 20/D 1511 ', '8 . Flash point（°C）71 ', '9 常温. Refractive index（n20）1509415 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-339590 ', '11 气相标准声称热(焓)( kJ·mol-1) -21615 ', '12 液相标准. Combustion heat(焓)(kJ·mol-1)-334302 ', '13 液相标准声称热(焓)( kJ·mol-1)-26903 ', '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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