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Basic Information
CAS No.: 957065-99-5
Name: Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
Article Data: 4
Molecular Structure:
Molecular Structure of 957065-99-5 (Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate)
Formula: C13H18BNO4
Molecular Weight: 263.101
Synonyms: 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-2-carboxylicacid methyl ester;Methyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;
Density: 1.12 g/cm3
Boiling Point: 383.9 °C at 760 mmHg
Flash Point: 186 °C
PSA: 57.65000
LogP: 1.16740
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Specification

The 2-Pyridinecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, with the CAS registry number 957065-99-5, is also known as Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate. It belongs to the product categories of Blocks; Boronic Acids; Carboxes; Pyridines; Ester; Organoborons; Pyridine. This chemical's molecular formula is C13H18BNO4 and molecular weight is 263.0973. Its systematic name is called methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate.

Physical properties of 2-Pyridinecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 3; (3)Index of Refraction: 1.497; (4)Molar Refractivity: 68.36 cm3; (5)Molar Volume: 233.5 cm3; (6)Surface Tension: 38.3 dyne/cm; (7)Density: 1.12 g/cm3; (8)Flash Point: 186 °C; (9)Enthalpy of Vaporization: 63.25 kJ/mol; (10)Boiling Point: 383.9 °C at 760 mmHg; (11)Vapour Pressure: 4.26E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)C(=O)OC
(2)InChI: InChI=1/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5/h6-8H,1-5H3
(3)InChIKey: IXKFGVRURWXXKX-UHFFFAOYAJ