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MF:
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C3H6O3S
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Water_Solubility:
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Slightly soluble
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Bolling_Point:
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180 ºC (30 mmHg)
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Exact_Mass:
|
122.003761
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More_Info:
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['1 . Appearance Colourless 无臭的Liquid 。纯品为棱状晶体。 ', '2 . Density（g/mL,20℃）1392 ', '3 . Melting point（ºC）30-33 ', '4 . Boiling point（ºC,187KPa）155~157 ', '5 . Boiling point（ºC,30mmHg）180 ', '6 . Flash point（ºC）>110 ', '7. Solubility 微Soluble in Water ']
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Melting_Point:
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30-33 °C(lit.)
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PSA:
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51.75000
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Flash_Point:
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110 ºC
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Refractive_Index:
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1.478
|
|
Density:
|
1.392
|
|
Molecular_Structure:
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['1 . Molar refractive index 2444 ', '2 . Molar volume 863 ', '3 . Parachor （902K）2173 ', '4 . Surface tension 401 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 969']
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Computational_Chemistry:
|
['1. XlogP :-02 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 518 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '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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|
FW:
|
122.143
|
|
LogP:
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-0.69
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
