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| CAS No.: | 870521-30-5 |
|---|---|
| Name: | 2-ISOPROXYPYRIDINE-5-BORONIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H12BNO3 |
| Molecular Weight: | 180.9968 |
| Synonyms: | 2-ISOPROXYPYRIDINE-5-BORONIC ACID;6-Isopropoxypyridine-3-boronic acid;[6-(propan-2-yloxy)pyridin-3-yl]boronic acid;6-Isopropoxypyridin-3-boronic acid;(6-Isopropoxy-3-pyridyl)boronic acid;2-Isopropoxy-5-pyridineboronic acid;6-Isoproxypyridine-3-boronic acid |
| Density: | 1.161g/cm3 |
| Boiling Point: | 325.498 °C at 760 mmHg |
| Flash Point: | 150.656 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 62.58000 |
| LogP: | -0.45140 |
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Specification
The (6-Isopropoxypyridin-3-yl)boronic acid, with CAS registry number 870521-30-5, has the systematic name of (6-isopropoxy-3-pyridyl)boronic acid. Besides this, it is also called 2-Isoproxypyridine-5-boronic acid. And the chemical formula of this chemical is C8H12BNO3.
Physical properties of (6-Isopropoxypyridin-3-yl)boronic acid: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.412; (4)ACD/LogD (pH 7.4): 0.304; (5)ACD/BCF (pH 5.5): 6.698; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 129.488; (8)ACD/KOC (pH 7.4): 10.102; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.58 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 46.69 cm3; (15)Molar Volume: 155.959 cm3; (16)Polarizability: 18.509×10-24cm3; (17)Surface Tension: 45.018 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 150.656 °C; (20)Enthalpy of Vaporization: 59.92 kJ/mol; (21)Boiling Point: 325.498 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)OC(C)C)(O)O
(2)InChI: InChI=1/C8H12BNO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
(3)InChIKey: SGEOBUJTURUUJE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H12BNO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
(5)Std. InChIKey: SGEOBUJTURUUJE-UHFFFAOYSA-N