Products Categories
CAS No.: | 1029654-24-7 |
---|---|
Name: | 2-Methoxy-4-phenylpyridine-3-boronic acid |
Molecular Structure: | |
Formula: | C12H12BNO3 |
Molecular Weight: | 229.04 |
Synonyms: | 2-METHOXY-4-PHENYLPYRIDINE-3-BORONIC ACID |
Density: | 1.25 g/cm3 |
Boiling Point: | 425.2 °C at 760 mmHg |
Flash Point: | 211 °C |
PSA: | 62.58000 |
LogP: | 0.43700 |
What can I do for you?
Get Best Price
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