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Molecular_Structure:
|
['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 130004827 Da ', '8. Nominal mass 130 Da ', '9. Average mass 1301236 Da']
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|
Water_Solubility:
|
30 g/L (20 ºC)
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|
FW:
|
130.124
|
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Density:
|
1,37 g/cm3
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|
Bolling_Point:
|
330ºC at 760mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 135 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :813 ', '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 :2']
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LogP:
|
0.64740
|
|
Melting_Point:
|
254 °C(lit.)
|
|
PSA:
|
135.02000
|
|
MF:
|
H6N2O4S
|
|
More_Info:
|
['1 . Appearance Colourless 鳞状结晶or 斜方晶系结晶。无味。 ', '2 . Density（g/mL,20℃）1378 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）254 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '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 微Soluble in 冷Water ，易Soluble in 热Water ，溶解度为30g/L（20℃）Water 溶液呈酸性。Insoluble in 醇。']
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|
Vapor_Pressure:
|
3.35E-05mmHg at 25°C
|
|
Exact_Mass:
|
130.004822
|
