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Computational_Chemistry:
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['1 . XlogP 07 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 6 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 736 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '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 单斜针状or 棱柱形结晶，具有窒息性臭味。 ', '2 . Density（g/mL,25℃）09604 ', '3 . Relative vapor density（g/mL,Atmosphere =1）297 ', '4 . Melting point（ºC）716 ', '5 . Boiling point（ºC,Atmospheric pressure）185 ', '6 . Boiling point（ºC, kPa）Unknow ', '7 . Refractive index（D20)14249 ', '8 . Flash point（ºC）87 ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg, 20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 20ºC）0025 ', '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）15(171℃) ', '18 . Lower limit of explosion（%,V/V）22(135℃) ', '19 . Solubility Soluble in Water ，Soluble in Ethanol Ethyl ether 甲苯丙酮等。']
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