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Cas Database |
| Name |
Boronic acid, B-(3-methoxy-4-pyridinyl)- |
EINECS | N/A |
| CAS No. | 1008506-24-8 | Density | 1.24 g/cm3 |
| PSA | 62.58000 | LogP | -1.23000 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H8BNO3 | Boiling Point | 357 °C at 760 mmHg |
| Molecular Weight | 152.945 | Flash Point | 169.7 °C |
| Transport Information | N/A | Appearance | off-white solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(3-Methoxy-4-pyridyl)boronic acid;3-Methoxypyridine-4-boronic acid; |
Article Data | 2 |
Boronic acid, B-(3-methoxy-4-pyridinyl)- 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
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