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Molecular_Structure:
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['1. Molar refractive index 9781 ', '2. Molar volume 2922 ', '3. Parachor （902K）7814 ', '4. Surface tension 511 ', '5. Dielectric constant N/A ', '6. Polarizability 3877 ', '7. Single isotope mass 353162708 Da ', '8. Nominal mass 353 Da ', '9. Average mass 3534116 Da']
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Flash_Point:
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295.9±25.4 °C
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Refractive_Index:
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1.584
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FW:
|
353.412
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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565.6±33.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 45 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 756 ', '7 . Heavy Atom Count 26 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 472 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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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LogP:
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5.14
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PSA:
|
75.63000
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MF:
|
C21H23NO4
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|
More_Info:
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['1 . Appearance White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，8mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）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,25ºC）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:
|
0.0±1.6 mmHg at 25°C
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|
Exact_Mass:
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353.162720
|
