Computational_Chemistry:
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['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 55 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :472 ', '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 Colourless Liquid ,有令人愉快的气味and 甜味。 ', '2. Melting point(℃)-112 ', '3. Boiling point(℃)887 ', '4相对. Density(Water =1)111 ', '5相对蒸气. Density(Atmosphere =1)314 ', '6. Saturated vapor pressure(kPa)853(25℃) ', '7. Combustion heat(kJ/mol)-13476 ', '8Octanol /Water 分配系数125 ', '9. Flash point(℃)10 ', '10引燃温度(℃)85 ', '11. Upper limit of explosion(%)10 ', '12. Lower limit of explosion(%)4 ', '13. Solubility 微Soluble in Water ,Soluble in Ethanol Ethyl ether 。']
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