|
Refractive_Index:
|
1.502
|
|
Vapor_Pressure:
|
0.0±2.7 mmHg at 25°C
|
|
Flash_Point:
|
253.7±25.9 °C
|
|
LogP:
|
-2.24
|
|
Bolling_Point:
|
495.9±35.0 °C at 760 mmHg
|
|
FW:
|
189.166
|
|
PSA:
|
103.70000
|
|
Computational_Chemistry:
|
['1. XlogP -18 ', '2. Hydrogen Bond Donor Count 3 ', '3. Hydrogen Bond Acceptor Count 5 ', '4. Rotatable Bond Count 5 ', '5. Isotope Atom Count 2 ', '6. TPSA 104 ', '7. Heavy Atom Count 13 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 225 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
MF:
|
C7H11NO5
|
|
Exact_Mass:
|
189.063721
|
|
Molecular_Structure:
|
['1. Molar refractive index 4119 ', '2. Molar volume 1396 ', '3. Parachor （902K）3846 ', '4. Surface tension 575 ', '5. Dielectric constant N/A ', '6. Polarizability 1632 ', '7. Single isotope mass 189063722 Da ', '8. Nominal mass 189 Da ', '9. Average mass 1891659 Da']
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）185 ', '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,25ºC）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 易Soluble in Water and Ethanol 。']
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