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 :8 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '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 ', '2 . Density(g/mL,20ºC)082 ', '3 相对. Density(20℃,4℃)08272 ', '4 . Melting point(ºC)12 ', '5 . Boiling point(ºC,Atmospheric pressure)227 ', '6 . Boiling point(ºC,12mmHg)Unknow ', '7 . Refractive index(nD20)14296 ', '8 . Flash point(ºC)89 ', '9 . Specific rotation()Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,20ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)41185 ', '15 临界. Density(g·cm-3)0246 ', '16 临界体积(cm3·mol-1)692 ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 不能拌and 的or 难以拌and ']
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