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| CAS No.: | 1008506-24-8 |
|---|---|
| Name: | 3-METHOXYPYRIDINE-4-BORONIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H8BNO3 |
| Molecular Weight: | 152.945 |
| Synonyms: | (3-Methoxy-4-pyridyl)boronic acid;3-Methoxypyridine-4-boronic acid; |
| Density: | 1.24 g/cm3 |
| Boiling Point: | 357 °C at 760 mmHg |
| Flash Point: | 169.7 °C |
| Appearance: | off-white solid |
| PSA: | 62.58000 |
| LogP: | -1.23000 |
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- Total:26 Page 1 of 1 1
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Specification
The Boronic acid, B-(3-methoxy-4-pyridinyl)-, with the CAS registry number 1008506-24-8, is also known as 3-Methoxypyridine-4-boronic acid. This chemical's molecular formula is C6H8BNO3 and molecular weight is 152.94. What's more, its systematic name is (3-methoxy-4-pyridyl)boronic acid.
Physical properties of Boronic acid, B-(3-methoxy-4-pyridinyl)- are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.09; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 62.58 Å2; (9)Index of Refraction: 1.523; (10)Molar Refractivity: 37.45 cm3; (11)Molar Volume: 122.4 cm3; (12)Polarizability: 14.84×10-24cm3; (13)Surface Tension: 50.1 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 169.7 °C; (16)Enthalpy of Vaporization: 63.55 kJ/mol; (17)Boiling Point: 357 °C at 760 mmHg; (18)Vapour Pressure: 1.03E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccncc1OC)(O)O
(2)InChI: InChI=1S/C6H8BNO3/c1-11-6-4-8-3-2-5(6)7(9)10/h2-4,9-10H,1H3
(3)InChIKey: CJMUIIBZOBKEGZ-UHFFFAOYSA-N