CAS No.1003043-46-6,2,6-DIETHOXYPYRIDINE-3-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1003043-46-6
Name:	2,6-DIETHOXYPYRIDINE-3-BORONIC ACID

Formula:	C₉H₁₄BNO₄
Molecular Weight:	211.02
Synonyms:	2,6-Diethoxypyridine-3-boronic acid;(2,6-Diethoxy-3-pyridyl)boronic acid;
Density:	1.189 g/cm³
Boiling Point:	362.67 °C at 760 mmHg
Flash Point:	173.137 °C
PSA:	71.81000
LogP:	-0.44120

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Specification

The Boronic acid, B-(2,6-diethoxy-3-pyridinyl)-, with the CAS registry number 1003043-46-6, is also known as 2,6-Diethoxypyridine-3-boronic acid. This chemical's molecular formula is C₉H₁₄BNO₄ and molecular weight is 211.02. What's more, its systematic name is (2,6-diethoxy-3-pyridyl)boronic acid.

Physical properties of Boronic acid, B-(2,6-diethoxy-3-pyridinyl)- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.402; (4)ACD/LogD (pH 7.4): 1.491; (5)ACD/BCF (pH 5.5): 38.483; (6)ACD/BCF (pH 7.4): 4.727; (7)ACD/KOC (pH 5.5): 461.902; (8)ACD/KOC (pH 7.4): 56.744; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 71.81 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 53.079 cm³; (15)Molar Volume: 177.541 cm³; (16)Polarizability: 21.042×10^-24cm³; (17)Surface Tension: 46.911 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 173.137 °C; (20)Enthalpy of Vaporization: 64.218 kJ/mol; (21)Boiling Point: 362.67 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1OCC)OCC)(O)O
(2)InChI: InChI=1S/C9H14BNO4/c1-3-14-8-6-5-7(10(12)13)9(11-8)15-4-2/h5-6,12-13H,3-4H2,1-2H3
(3)InChIKey: HTELBRAIBMTDOF-UHFFFAOYSA-N