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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:
|
1.631
|
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FW:
|
229.296
|
|
Density:
|
1.5±0.1 g/cm3
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|
Bolling_Point:
|
317.6±25.0 °C at 760 mmHg
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Computational_Chemistry:
|
['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:
|
0.91
|
|
Melting_Point:
|
170-174ºC
|
|
PSA:
|
58.06000
|
|
MF:
|
C10H15NO3S
|
|
More_Info:
|
['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）170-174 ', '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）-466 ', '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:
|
0.0±0.7 mmHg at 25°C
|
|
Exact_Mass:
|
229.077271
|
