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CAS No.: | 903899-13-8 |
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Name: | 6-HYDROXY-3-PYRIDINEBORONIC ACID |
Molecular Structure: | |
Formula: | C5H6BNO3 |
Molecular Weight: | 138.919 |
Synonyms: | 6-Hydroxy-3-pyridineboronic acid;5-Borono-2-pyridone;(6-hydroxy-3-pyridyl)boronic acid; |
Density: | 1.429 g/cm3 |
Boiling Point: | 500.794 °C at 760 mmHg |
Flash Point: | 256.671 °C |
PSA: | 73.58000 |
LogP: | -1.53300 |
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The CAS registry number of 6-Hydroxypyridine-3-boronic acid is 93899-13-8. The IUPAC name is (6-hydroxy-3-pyridyl)boronic acid. In addition, the molecular formula is C5H6BNO3 and the molecular weight is 138.92. It should be stored in a cool and dry place.
Physical properties of 6-Hydroxypyridine-3-boronic acid: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.636; (5)ACD/KOC (pH 7.4): 1.084; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 73.58 Å2; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 32.616 cm3; (12)Molar Volume: 97.199 cm3; (13)Polarizability: 12.93 ×10-24cm3; (14)Surface Tension: 71.335 dyne/cm; (15)Density: 1.429 g/cm3; (16)Flash Point: 256.671 °C; (17)Enthalpy of Vaporization: 81.03 kJ/mol; (18)Boiling Point: 500.794 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)O)(O)O
(2)InChI: InChI=1/C5H6BNO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,9-10H,(H,7,8)
(3)InChIKey: YUOLAYZNDYRBEZ-UHFFFAOYAE