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MF:
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C9H13BO5
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|
Bolling_Point:
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371.1ºC at 760mmHg
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Exact_Mass:
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212.08600
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More_Info:
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['1 . Appearance Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）74-79 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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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74-79 °C(lit.)
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PSA:
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68.15000
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Flash_Point:
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178.3ºC
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Refractive_Index:
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1.513
|
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Density:
|
1.21g/cm3
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|
Molecular_Structure:
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['1. Molar refractive index 5238 ', '2. Molar volume 174 ', '3. Parachor （902K）4475 ', '4. Surface tension 436 ', '5. Dielectric constant N/A ', '6. Polarizability 2076 ', '7. Single isotope mass 212085605 Da ', '8. Nominal mass 212 Da ', '9. Average mass 2020075 Da']
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FW:
|
212.00800
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 682 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :189 ', '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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Vapor_Pressure:
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3.65E-06mmHg at 25°C
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