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The 2-Methoxypyridine-3-boronic acid with CAS registry number of 163105-90-6 belongs to the classes of Pyridine; Boron, Nitrile, Thio, & TM-Cpds; Heterocycles; Boronic Acids & Esters; Pyridines; Heterocyclic Compounds; Organoborons; Alkoxy; Boronic Acids & Esters; Boronic Acid; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. The IUPAC name is (2-methoxypyridin-3-yl)boronic acid. In addition, the formula is C6H8BNO3 and the molecular weight is 152.94362. It should be stored in a airtight, cool and dry environment.
Physical properties about 2-Methoxypyridine-3-boronic acid are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1.57; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.97; (8)ACD/KOC (pH 7.4): 2.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 14.84 ×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 151.2 °C; (20)Enthalpy of Vaporization: 60.02 kJ/mol; (21)Boiling Point: 326.4 °C at 760 mmHg; (22)Vapour Pressure: 8.78E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ncccc1B(O)O)C
(2)InChI: InChI=1/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3
(3)InChIKey: NVOLYUXUHWBCRJ-UHFFFAOYAR