Molecular_Structure:
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['1. Molar refractive index 5462 ', '2. Molar volume 1533 ', '3. Parachor (902K)4256 ', '4. Surface tension 593 ', '5. Dielectric constant N/A ', '6. Polarizability 2165 ', '7. Single isotope mass 229077263 Da ', '8. Nominal mass 229 Da ', '9. Average mass 229296 Da']
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Flash_Point:
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145.9±23.2 °C
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Refractive_Index:
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1.631
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FW:
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229.296
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Density:
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1.5±0.1 g/cm3
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Bolling_Point:
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317.6±25.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 497 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 466 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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LogP:
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0.91
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Melting_Point:
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172-174 °C(lit.)
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PSA:
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58.06000
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MF:
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C10H15NO3S
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More_Info:
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['1 . Appearance White 结晶性粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)172-174 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,4mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)45 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
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Vapor_Pressure:
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0.0±0.7 mmHg at 25°C
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Exact_Mass:
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229.077271
|