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918138-36-0

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Basic Information
CAS No.: 918138-36-0
Name: 5-(Pyridin-3-yloxy)pyridine-3-boronic acid
Molecular Structure:
Molecular Structure of 918138-36-0 (5-(Pyridin-3-yloxy)pyridine-3-boronic acid)
Formula: C10H9BN2O3
Molecular Weight: 216.00
Synonyms: 5-(Pyridin-3-yloxy)pyridine-3-boronic acid
Density: 1.35 g/cm3
Boiling Point: 451.1 °C at 760 mmHg
Flash Point: 226.6 °C
PSA: 75.47000
LogP: -0.05130
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Specification

The 5-(Pyridin-3-yloxy)pyridine-3-boronic acid, with the CAS registry number 918138-36-0, is also known as Boronic acid, B-[5-(3-pyridinyloxy)-3-pyridinyl]-. This chemical's molecular formula is C10H9BN2O3 and molecular weight is 216.00. Its systematic name is called boronic acid, B-[5-(3-pyridinyloxy)-3-pyridinyl]-.

Physical properties of 5-(Pyridin-3-yloxy)pyridine-3-boronic acid: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.63; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 55.33 cm3; (13)Molar Volume: 159.1 cm3; (14)Surface Tension: 66.8 dyne/cm; (15)Density: 1.35 g/cm3; (16)Flash Point: 226.6 °C; (17)Enthalpy of Vaporization: 74.83 kJ/mol; (18)Boiling Point: 451.1 °C at 760 mmHg; (19)Vapour Pressure: 6.32E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)Oc2cccnc2)(O)O
(2)InChI: InChI=1/C10H9BN2O3/c14-11(15)8-4-10(7-13-5-8)16-9-2-1-3-12-6-9/h1-7,14-15H
(3)InChIKey: DWOMGHBSPVUWPJ-UHFFFAOYAY