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| CAS No.: | 500707-34-6 |
|---|---|
| Name: | 3-METHOXY-2-PYRIDINEBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C6H8BNO3 |
| Molecular Weight: | 152.945 |
| Synonyms: | 3-Methoxypyridine-2-boronic acid; |
| Density: | 1.249 g/cm3 |
| Boiling Point: | 356.963 °C at 760 mmHg |
| Flash Point: | 169.685 °C |
| PSA: | 62.58000 |
| LogP: | -1.23000 |
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Specification
The Boronic acid,(3-methoxy-2-pyridinyl)- (9CI), with the CAS registry number 500707-34-6, is also known as 3-Methoxypyridine-2-boronic acid. It belongs to the product category of Methoxy. This chemical's molecular formula is C6H8BNO3 and molecular weight is 152.9436. What's more, its systematic name is (3-Methoxypyridin-2-yl)boronic acid.
Physical properties about Boronic acid,(3-methoxy-2-pyridinyl)- (9CI) are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 40; (7)ACD/KOC (pH 7.4): 14; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 62.58 Å2; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 37.452 cm3; (14)Molar Volume: 122.439 cm3; (15)Polarizability: 14.847×10-24 cm3; (16)Surface Tension: 50.18 dyne/cm; (17)Density: 1.249 g/cm3; (18)Flash Point: 169.685 °C; (19) Enthalpy of Vaporization: 63.552 kJ/mol; (20)Boiling Point: 356.963 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ncccc1OC
(2) InChI: InChI=1/C6H8BNO3/c1-11-5-3-2-4-8-6(5)7(9)10/h2-4,9-10H,1H3
(3) InChIKey: AGWPKYDCLMHNIE-UHFFFAOYAK