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Molecular_Structure:
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['1. Molar refractive index 5174 ', '2. Molar volume 1576 ', '3. Parachor （902K）3963 ', '4. Surface tension 40 ', '5. Dielectric constant N/A ', '6. Polarizability 2051 ', '7. Single isotope mass 174079313 Da ', '8. Nominal mass 174 Da ', '9. Average mass 1741992 Da']
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LogP:
|
1.88090
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Flash_Point:
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120°C/0.1mm
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Refractive_Index:
|
1.57
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|
FW:
|
174.19900
|
|
Density:
|
1.1g/cm3
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|
Bolling_Point:
|
120 °C0.1 mm Hg(lit.)
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Computational_Chemistry:
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['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 27 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '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:
|
59-67 °C(lit.)
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|
PSA:
|
27.05000
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MF:
|
C10H10N2O
|
|
More_Info:
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['1 . Appearance White 无气味晶体状粉末。 ', '2 . Density（g/mL,25℃）186 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）59-67 ', '5 . Boiling point（ºC,Atmospheric pressure）120 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）120 ', '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 Unknow。']
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|
Vapor_Pressure:
|
0.000741mmHg at 25°C
|
|
Exact_Mass:
|
174.07900
|
