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663955-80-4

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Basic Information
CAS No.: 663955-80-4
Name: 6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid
Molecular Structure:
Molecular Structure of 663955-80-4 (6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid)
Formula: C13H14BNO4
Molecular Weight: 259.0656
Synonyms: 6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid
Density: 1.266 g/cm3
Boiling Point: 458.591 °C at 760 mmHg
Flash Point: 231.148 °C
PSA: 71.81000
LogP: 0.34900
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Specification

The CAS registry number of 6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid is 663955-80-4. The molecular formula of it is C13H14BNO4 and molecular weight is 259.0656. Its systematic name is called [6-[(4-methoxyphenyl)methoxy]-3-pyridyl]boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.718; (4)ACD/LogD (pH 7.4): 0.536; (5)ACD/BCF (pH 5.5): 11.35; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 187.021; (8)ACD/KOC (pH 7.4): 12.283; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 68.531 cm3; (14)Molar Volume: 204.619 cm3; (15)Surface Tension: 55.441 dyne/cm; (16)Density: 1.266 g/cm3; (17)Flash Point: 231.148 °C; (18)Enthalpy of Vaporization: 75.753 kJ/mol; (19)Boiling Point: 458.591 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)OCc2ccc(cc2)OC)(O)O
(2)InChI: InChI=1/C13H14BNO4/c1-18-12-5-2-10(3-6-12)9-19-13-7-4-11(8-15-13)14(16)17/h2-8,16-17H,9H2,1H3
(3)InChIKey: WKTHOUOOJXPRDN-UHFFFAOYAB