Refractive_Index:
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1.574
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Vapor_Pressure:
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0.0±1.5 mmHg at 25°C
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Flash_Point:
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145.4±27.9 °C
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LogP:
|
0.34
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Bolling_Point:
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316.8±42.0 °C at 760 mmHg
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PSA:
|
66.02000
|
Molecular_Structure:
|
['1 . Molar refractive index 4628 ', '2 . Molar volume (m3/mol)1401 ', '3 . Parachor (902K)3827 ', '4 . Surface tension 556 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1834']
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Computational_Chemistry:
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['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :4 ', '6. TPSA 643 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :357 ', '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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Melting_Point:
|
244-247 °C(lit.)
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MF:
|
C9H10N2O2
|
Exact_Mass:
|
178.074234
|
FW:
|
178.188
|
Density:
|
1.3±0.1 g/cm3
|
More_Info:
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['1 . Appearance 无可用 ', '2 . Density(g/mL,25/4℃)无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)244-247 ', '5 . Boiling point(ºC,Atmospheric pressure)无可用 ', '6 . Boiling point(ºC,52kPa)无可用 ', '7 . Refractive index无可用 ', '8 . Flash point(ºC)无可用 ', '9 . Specific rotation(º)无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC)无可用 ', '11 . Vapor pressure(kPa,25ºC)无可用 ', '12 . Saturated vapor pressure(kPa,60ºC)无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC)无可用 ', '15 . Critical pressure(KPa)无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V)无可用 ', '19 . Solubility 无可用']
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