Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 416 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '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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Molecular_Structure:
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['1 . Molar refractive index 1686 ', '2 . Molar volume (m3/mol)542 ', '3 . Parachor (902K)1551 ', '4 . Surface tension 671 ', '5 . Dielectric constant (F/m)无可用 ', '6 偶极距(D)无可用 ', '7 . Polarizability (10 -24cm 3)668']
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More_Info:
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['一物性数据 ', '. Appearance 结晶 ', '. Density(g/mL,25/4℃)1192 ', '. Relative vapor density(g/mL,Atmosphere =1)不可用 ', '. Melting point(ºC)23-25 ', '. Boiling point(ºC,Atmospheric pressure)203 ', '. Boiling point(ºC,52kPa)不可用 ', '. Refractive index1498 . Flash point(ºC) 225℉ . Specific rotation(º) 不可用 ', '. Spontaneous ignition point or ignition temperature(ºC)不可用 ', '. Vapor pressure(kPa,25ºC)不可用 ', '. Saturated vapor pressure(kPa,60ºC)不可用 ', '. Combustion heat(KJ/mol)不可用 ', '. Critical temperature(ºC)不可用 ', '. Critical pressure(KPa)不可用 ', '. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion(%,V/V)不可用 ', '. Lower limit of explosion(%,V/V)不可用 ', '. Solubility 不可用']
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