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MF:
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C10H12O6S
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Density:
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1.4±0.1 g/cm3
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Computational_Chemistry:
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['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :6 ', '6. TPSA 121 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :267 ', '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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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）1017 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）132-135 ', '5 . Boiling point（ºC,Atmospheric pressure）153 ', '6 . Boiling point（ºC,20mmHg）Unknow ', '7 . Refractive index（n20/D）14589 ', '8 . Flash point（ºC）655 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,377ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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Exact_Mass:
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260.035461
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Vapor_Pressure:
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0.0±1.0 mmHg at 25°C
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Flash_Point:
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194.3±26.5 °C
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PSA:
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121.30000
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Molecular_Structure:
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['1 . Molar refractive index 6121 ', '2 . Molar volume （m3/mol）1845 ', '3 . Parachor （902K）5097 ', '4 . Surface tension 581 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）2426']
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LogP:
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4.11
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Bolling_Point:
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397.7±37.0 °C at 760 mmHg
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FW:
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260.264
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Refractive_Index:
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1.578
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Melting_Point:
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132-135ºC(lit.)
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