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CAS No.: | 1001907-69-2 |
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Name: | 6-Ethylpyridine-3-boronic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H10BNO2 |
Molecular Weight: | 151.08 |
Synonyms: | 2-ETHYLPYRIDINE-5-BORONIC ACID;(6-Ethylpyridin-3-yl)boronic acid;6-ETHYLPYRIDINE-3-BORONIC ACID; |
Density: | 1.139 g/cm3 |
Boiling Point: | 298.914 °C at 760 mmHg |
Flash Point: | 134.579 °C |
PSA: | 53.35000 |
LogP: | -0.67620 |
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The CAS registry number of 6-Ethylpyridine-3-boronic acid is 1001907-69-2. Its molecular formula is C7H10BNO2 and molecular weight is 150.9708. Its systematic name is called (6-ethyl-3-pyridyl)boronic acid.
Physical properties about 6-Ethylpyridine-3-boronic acid are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.682; (4)ACD/BCF (pH 5.5): 1.83; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 50.031; (7)ACD/KOC (pH 7.4): 5.134; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 40.341 cm3; (13)Molar Volume: 132.564 cm3; (14)Surface Tension: 46.198 dyne/cm; (15)Density: 1.139 g/cm3; (16)Flash Point: 134.579 °C; (17)Enthalpy of Vaporization: 56.905 kJ/mol; (18)Boiling Point: 298.914 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)CC)(O)O
(2)InChI: InChI=1/C7H10BNO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
(3)InChIKey: LPXSVMTZVQACFE-UHFFFAOYAN