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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 :1 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :867 ', '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 Liquid ', '2 . Density(g/ml,20°C)0819 ', '3 相对. Density(20℃,4℃)08246 ', '4 相对. Density(25℃,4℃)08190 ', '5 . Boiling point(ºC,Atmospheric pressure)1875 ', '6常温. Refractive index(n20)14204 ', '7 . Refractive index(n20D)1419-1422 ', '8 . Flash point(ºC)187 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,20ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)37055 ', '15 临界. Density(g·cm-3)0254 ', '16 临界体积(cm3·mol-1)560 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility Soluble in Ethanol Ethyl ether 氯仿丙酮,Insoluble in Water ']
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