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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 109977011 Da ', '8. Nominal mass 110 Da ', '9. Average mass 110153 Da']
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Computational_Chemistry:
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['1 . XlogP 03 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count :2 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 5 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 559 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance White -淡棕色Solid ', '2 . Density（g/mL,25/4℃） 无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）194 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa） 无可用 ', '7 . Refractive index 无可用 ', '8 . Flash point（ºC） 无可用 ', '9 . Specific rotation（º） 无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC） 无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC） 无可用 ', '15 . Critical pressure（KPa） 无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V） 无可用 ', '19 . Solubility 无可用']
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