|
MF:
|
C8H9BO3
|
|
Water_Solubility:
|
25 g/L
|
|
Bolling_Point:
|
354.2±44.0 °C at 760 mmHg
|
|
Exact_Mass:
|
164.064468
|
|
More_Info:
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['1 . Appearance White or Yellow 晶体状粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）229-231 ', '5 . Solubility Soluble in Water ，25g/L']
|
|
Melting_Point:
|
240-244 °C(lit.)
|
|
PSA:
|
57.53000
|
|
Flash_Point:
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168.0±28.4 °C
|
|
Refractive_Index:
|
1.536
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4265 ', '2 . Molar volume 1368 ', '3 . Parachor （902K）3552 ', '4 . Surface tension 453 ', '5 . Polarizability 1691']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 575 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :162 ', '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']
|
|
FW:
|
163.966
|
|
LogP:
|
1.04
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
