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| CAS No.: | 913836-11-0 |
|---|---|
| Name: | 5-BORONOPICOLINIC ACID |
| Molecular Structure: | |
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| Formula: | C6H6BNO4 |
| Molecular Weight: | 166.9271 |
| Synonyms: | 5-boronopicolinic acid; |
| Density: | 1.5g/cm3 |
| Melting Point: | >300℃ |
| Boiling Point: | 454.4 °C at 760 mmHg |
| Flash Point: | 228.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 90.65000 |
| LogP: | -1.54040 |
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Specification
The 6-Carboxypyridine-3-boronic acid, with CAS registry number 913836-11-0, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Pyridines. It has the systematic name of 5-boronopyridine-2-carboxylic acid. And the chemical formula of this chemical is C6H6BNO4.
Physical properties of 6-Carboxypyridine-3-boronic acid: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 90.65 Å2; (6)Index of Refraction: 1.588; (7)Molar Refractivity: 37.36 cm3; (8)Molar Volume: 110.8 cm3; (9)Polarizability: 14.81×10-24cm3; (10)Surface Tension: 76.3 dyne/cm; (11)Enthalpy of Vaporization: 75.23 kJ/mol; (12)Vapour Pressure: 4.78E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)C(=O)O)(O)O
(2)InChI: InChI=1/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)
(3)InChIKey: UEKWXZLQKGKCEQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)
(5)Std. InChIKey: UEKWXZLQKGKCEQ-UHFFFAOYSA-N