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More_Info:
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['1 . Appearance Colourless 片状or 粉状结晶，具有类似黑香豆的干草香气。 ', '2 . Density（g/mL,20/4℃）0935 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）69~71 ', '5 . Boiling point（ºC,Atmospheric pressure）290~301，154ºC（133kpa） ', '6 . Boiling point（ºC,13kPa）154 ', '7 . Boiling point（ºC,067kPa）139 ', '8 . Flash point（ºC）162 ', '9 . Specific rotation（º）Unknow ', '10 升华温度（ºC）100 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 溶解度（g/100mL,25ºC,Water ）025 ', '15 溶解度（g/100mL,100ºC,Water ）20 ', '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 Insoluble in 冷Water ，易Soluble in 热Water 醇 Ethyl ether 氯仿and 氢氧化钠溶液。']
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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 :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :196 ', '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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