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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 280958881 Da ', '8. Nominal mass 281 Da ', '9. Average mass 2811028 Da']
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Water_Solubility:
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362 g/L (20 ºC)
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|
FW:
|
281.10300
|
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Density:
|
2.03 g/mL at 25 °C(lit.)
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Bolling_Point:
|
735°C
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :7 ', '3. Hydrogen Bond Acceptor Count :11 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 956 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :622 ', '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 :9']
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Melting_Point:
|
98 °C
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|
PSA:
|
153.25000
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|
MF:
|
CoH14O11S
|
|
More_Info:
|
['1 . Appearance 玫瑰红色的单斜晶系结晶。 ', '2 . Density（g/mL,25℃）1948 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）968 ', '5 . Boiling point（ºC,Atmospheric pressure）735 ', '6 . Boiling point（ºC,52kPa）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（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 Soluble in Water 362g/L(20℃)及甲醇，Insoluble in 氨，微Soluble in Ethanol 。']
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Exact_Mass:
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280.95900
|
