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741709-58-0

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Basic Information
CAS No.: 741709-58-0
Name: 2-ACETYLPYRIDINE-4-BORONIC ACID PINACOL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 741709-58-0 (2-ACETYLPYRIDINE-4-BORONIC ACID PINACOL ESTER)
Formula: C13H18BNO3
Molecular Weight: 247.102
Synonyms: 2-Acetylpyridine-4-boronic acid pinacol ester;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]ethanone;
Density: 1.087 g/cm3
Boiling Point: 369.801 °C at 760 mmHg
Flash Point: 177.449 °C
PSA: 48.42000
LogP: 1.58340
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Specification

The Ethanone,1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, with the CAS registry number 741709-58-0, is also known as 2-Acetylpyridine-4-boronic acid pinacol ester. This chemical's molecular formula is C13H18BNO3 and molecular weight is 247.10. What's more, its systematic name is 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]ethanone.

Physical properties of Ethanone,1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 48.42 Å2; (5)Index of Refraction: 1.498; (6)Molar Refractivity: 66.626 cm3; (7)Molar Volume: 227.39 cm3; (8)Polarizability: 26.413×10-24 cm3; (9)Surface Tension: 37.029 dyne/cm; (10)Density: 1.087 g/cm3; (11)Flash Point: 177.449 °C; (12)Enthalpy of Vaporization: 61.662 kJ/mol; (13)Boiling Point: 369.801 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)C(=O)C
(2)InChI: InChI=1/C13H18BNO3/c1-9(16)11-8-10(6-7-15-11)14-17-12(2,3)13(4,5)18-14/h6-8H,1-5H3
(3)InChIKey: DYRIBTLLHRHBGE-UHFFFAOYAN