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Computational_Chemistry:
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['1. XlogP :-32 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 115 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :187 ', '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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['一物性数据 ', '1 . Appearance White 菱形晶体。 ', '2 . Density(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)2415 ', '5 . Boiling point(ºC,067kpaor 5 mmHg)不确定 ', '6 . Refractive index不确定 ', '7 . Flash point(ºC)不确定 ', '8 . Specific rotation(ºC)不确定 ', '9 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '10 . Vapor pressure(kPa,25ºC)不确定 ', '11 . Saturated vapor pressure(kPa,60ºC)不确定 ', '12 . Combustion heat(KJ/mol)不确定 ', '13 . Critical temperature(ºC)503 ', '14 . Critical pressure(KPa)不确定 ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion(%,V/V)不确定 ', '17 . Lower limit of explosion(%,V/V)不确定 ', '18 . Solubility 微Soluble in 热Water ,Soluble in 氨Water 氢氧化钠溶液。225℃时1LWater 可溶解128g氨基三乙酸,饱and Water 溶液ph值为23。Insoluble in 多数有机溶液。']
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