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2-Methoxy-4-phenylpyridine-3-boronic acid

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Name

2-Methoxy-4-phenylpyridine-3-boronic acid

EINECS N/A
CAS No. 1029654-24-7 Density 1.25 g/cm3
PSA 62.58000 LogP 0.43700
Solubility N/A Melting Point N/A
Formula C12H12BNO3 Boiling Point 425.2 °C at 760 mmHg
Molecular Weight 229.04 Flash Point 211 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1029654-24-7 (2-Methoxy-4-phenylpyridine-3-boronic acid) Hazard Symbols N/A
Synonyms

2-METHOXY-4-PHENYLPYRIDINE-3-BORONIC ACID

 

2-Methoxy-4-phenylpyridine-3-boronic acid Specification

The 2-Methoxy-4-phenylpyridine-3-boronic acid has CAS registry number 1029654-24-7. Its molecular formula is C12H12BNO3 and molecular weight is 229.04. What's more, its systematic name is (2-Methoxy-4-phenylpyridin-3-yl)boronic acid.

Physical properties about the 2-Methoxy-4-phenylpyridine-3-boronic acid are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 31.01; (6)ACD/BCF (pH 7.4): 1.69; (7)ACD/KOC (pH 5.5): 378.69; (8)ACD/KOC (pH 7.4): 20.68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 62.15 cm3; (15)Molar Volume: 182.1 cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.25 g/cm3; (18)Flash Point: 211 °C; (19)Enthalpy of Vaporization: 71.67 kJ/mol; (20)Boiling Point: 425.2 °C at 760 mmHg; (21)Vapour Pressure: 5.46E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1nccc(c1B(O)O)c2ccccc2)C
(2) InChI: InChI=1/C12H12BNO3/c1-17-12-11(13(15)16)10(7-8-14-12)9-5-3-2-4-6-9/h2-8,15-16H,1H3
(3) InChIKey: MUVGNTPCIFKWFL-UHFFFAOYAW

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