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1072946-58-7

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Basic Information
CAS No.: 1072946-58-7
Name: 2-ETHOXY-4-PYRIDINYLBORONIC ACID
Molecular Structure:
Molecular Structure of 1072946-58-7 (2-ETHOXY-4-PYRIDINYLBORONIC ACID)
Formula: C7H10BNO3
Molecular Weight: 166.97
Synonyms: Boronic acid, B-(2-ethoxy-4-pyridinyl)-;
Density: 1.202 g/cm3
Boiling Point: 333.734 °C at 760 mmHg
Flash Point: 155.637 °C
PSA: 62.58000
LogP: -0.83990
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Specification

The 2-Ethoxypyridine-4-boronic acid, also known as Boronic acid, B-(2-ethoxy-4-pyridinyl)-, is the organic compound with the formula C7H10BNO3. With the CAS registry number 1072946-58-7, its systematic name is (2-ethoxy-4-pyridyl)boronic acid.

Physical properties of 2-Ethoxypyridine-4-boronic acid: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): 1.111; (3)ACD/LogD (pH 7.4): 0.462; (4)ACD/BCF (pH 5.5): 4.068; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 93.755; (7)ACD/KOC (pH 7.4): 21.032; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 42.083 cm3; (13)Molar Volume: 138.911 cm3; (14)Surface Tension: 48.166 dyne/cm; (15)Density: 1.202 g/cm3; (16)Flash Point: 155.637 °C; (17)Enthalpy of Vaporization: 60.864 kJ/mol; (18)Boiling Point: 333.734 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccnc(c1)OCC)(O)O
(2)InChI: InChI=1/C7H10BNO3/c1-2-12-7-5-6(8(10)11)3-4-9-7/h3-5,10-11H,2H2,1H3
(3)InChIKey: ZQABQGHEJQIWFW-UHFFFAOYAW