|
FW:
|
209.263
|
|
MF:
|
C7H15NO4S
|
|
Water_Solubility:
|
1000 g/L (20 ºC)
|
|
Refractive_Index:
|
1.512
|
|
Exact_Mass:
|
209.072174
|
|
PSA:
|
75.22000
|
|
Computational_Chemistry:
|
['1. XlogP :-31 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 752 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :227 ', '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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|
Molecular_Structure:
|
['1. Molar refractive index 4838 ', '2. Molar volume 1611 ', '3. Parachor （902K）4241 ', '4. Surface tension 479 ', '5. Dielectric constant N/A ', '6. Polarizability 1918 ', '7. Single isotope mass 209072178 Da ', '8. Nominal mass 209 Da ', '9. Average mass 2092633 Da']
|
|
LogP:
|
-1.91
|
|
Melting_Point:
|
277-282 °C
|
|
Flash_Point:
|
116 °C
|
|
Density:
|
1.298 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶粉末 。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）277-282 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,4mm）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）116 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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 Water 溶性1000 g/L (20°C)']
|
