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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 :3 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 277 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :422 ', '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 White 晶体 ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）157(23℃)。 ', '4 . Melting point（ºC）364～38 ', '5 . Boiling point（ºC）208（7198Pa）100（32×10-2Pa） ', '6 . Boiling point（ºC1mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa）32×10-3 (100℃)80×10-3 (25℃)， ', '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（正Octanol /Water ）Logarithmic Value of Distribution Coefficient 11200000 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 爆炸下（%,V/V）Unknow ', '19 . Solubility 氯仿858g/L丙酮908g/L醋酸乙酯875g/L Ethanol 150g/L甲醇766g/L二甲苯848g/LWater 1mg/L']
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