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MF:
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C7H8O3S
|
|
Bolling_Point:
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305.3ºC at 760mmHg
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Exact_Mass:
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172.01900
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More_Info:
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['1 . Appearance Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）121-123 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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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Melting_Point:
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121-123ºC
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PSA:
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74.77000
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Flash_Point:
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138.4ºC
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Computational_Chemistry:
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['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 494 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 143 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '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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Density:
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1.305g/cm3
|
|
Molecular_Structure:
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['1. Molar refractive index 4287 ', '2. Molar volume 1319 ', '3. Parachor （902K）349 ', '4. Surface tension 489 ', '5. Dielectric constant N/A ', '6. Polarizability 1699 ', '7. Single isotope mass 172019414 Da ', '8. Nominal mass 172 Da ', '9. Average mass 1722016 Da']
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|
FW:
|
172.20200
|
|
LogP:
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1.84500
|
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Vapor_Pressure:
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0.000363mmHg at 25°C
|
