CAS No.1029654-27-0,2-Methoxy-5-methylpyridine-3-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1029654-27-0
Name:	2-Methoxy-5-methylpyridine-3-boronic acid

Formula:	C₇H₁₀BNO₃
Molecular Weight:	166.91
Synonyms:	Boronic acid, B-(2-methoxy-5-methyl-3-pyridinyl)-;
Density:	1.2 g/cm³
Boiling Point:	352 °C at 760 mmHg
Flash Point:	166.7 °C
PSA:	62.58000
LogP:	-0.92160

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Specification

The 2-Methoxy-5-methylpyridine-3-boronic acid, with the CAS registry number of 1029654-27-0, is also known as Boronic acid, B-(2-methoxy-5-methyl-3-pyridinyl)-. Its molecular formula is C₇H₁₀BNO₃ and molecular weight is 166.97. What's more, its systematic name is (2-Methoxy-5-methylpyridin-3-yl)boronic acid.

Physical properties about the 2-Methoxy-5-methylpyridine-3-boronic acid are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 3.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 83.47; (8)ACD/KOC (pH 7.4): 5.7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 42.07 cm³; (15)Molar Volume: 138.4 cm³; (16)Surface Tension: 47.8 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 166.7 °C; (19)Enthalpy of Vaporization: 62.98 kJ/mol; (20)Boiling Point: 352 °C at 760 mmHg; (21)Vapour Pressure: 1.46E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ncc(cc1B(O)O)C)C
(2) InChI: InChI=1/C7H10BNO3/c1-5-3-6(8(10)11)7(12-2)9-4-5/h3-4,10-11H,1-2H3
(3) InChIKey: WIIYALHHVMIETQ-UHFFFAOYAE