Computational_Chemistry:
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['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :7 ', '6. TPSA 465 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '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 Solid 结晶,有草莓菠萝香气,以及果糖焦糖香味。 ', '2 . Density(g/mL,25/4℃)105 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting pointmp(ºC)75-80 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling pointbp(ºC,15mm)不确定 ', '7 . Refractive index(n20D)1435 ', '8 . Flash pointfp(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 微Soluble in Water ,Soluble in Ethanol 等有机溶剂。']
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