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MF:
|
C10H11NO4
|
|
Bolling_Point:
|
424.0±38.0 °C at 760 mmHg
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Exact_Mass:
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209.068802
|
|
More_Info:
|
['1 . Appearance White 粉末状结晶 2 . Density（ g/mL,25 ℃ ） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）118-122 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,42mm）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC,06mm）Unknow ', '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 Unknow']
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Melting_Point:
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118-122 °C(lit.)
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PSA:
|
75.63000
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Flash_Point:
|
210.2±26.8 °C
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Refractive_Index:
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1.554
|
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Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5200 ', '2 . Molar volume （m3/mol）1621 ', '3 . Parachor （902K）4379 ', '4 . Surface tension : 531 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2061']
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|
Computational_Chemistry:
|
['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :2 ', '6. TPSA 756 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :224 ', '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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|
FW:
|
209.199
|
|
LogP:
|
1.37
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
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