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Molecular_Structure:
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['1. Molar refractive index 489 ', '2. Molar volume 162 ', '3. Parachor （902K）4086 ', '4. Surface tension 404 ', '5. Dielectric constant N/A ', '6. Polarizability 1938 ', '7. Single isotope mass 180095775 Da ', '8. Nominal mass 180 Da ', '9. Average mass 1800087 Da']
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Flash_Point:
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166.6ºC
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|
Refractive_Index:
|
1.515
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|
FW:
|
180.00900
|
|
Density:
|
1.11 g/cm3
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|
Bolling_Point:
|
351.9ºC at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 497 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :152 ', '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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|
LogP:
|
0.07350
|
|
Melting_Point:
|
89-94ºC(lit.)
|
|
PSA:
|
49.69000
|
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MF:
|
C9H13BO3
|
|
More_Info:
|
['1 . Appearance Solid 。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）89-94 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 760mmHg）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（mmHg,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']
|
|
Vapor_Pressure:
|
1.48E-05mmHg at 25°C
|
|
Exact_Mass:
|
180.09600
|
