3-Methoxy-4-methylbenzeneboronic acid (917757-15-4)

The 3-Methoxy-4-methylphenylboronic acid, with the CAS registry number 917757-15-4, is also known as 3-Methoxy-p-tolylboronic acid. This chemical's molecular formula is C₈H₁₁BO₃ and molecular weight is 165.98. What's more, its systematic name is called (3-Methoxy-4-methyl-phenyl)boronic acid.

Physical properties about 3-Methoxy-4-methylphenylboronic acid are: (1) ACD/LogP: 1.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.96; (4) ACD/LogD (pH 7.4): 1.92; (5) #H bond acceptors: 3; (6) #H bond donors: 2; (7) #Freely Rotating Bonds: 4; (8) Polar Surface Area: 49.69 Å²; (9) Index of Refraction: 1.52; (10) Molar Refractivity: 44.27 cm³; (11) Molar Volume: 145.5 cm³; (12) Surface Tension: 41.1 dyne/cm; (13) Density: 1.14 g/cm³; (14) Flash Point: 146.3 °C; (15) Enthalpy of Vaporization: 59.1 kJ/mol; (16) Boiling Point: 318.3 °C at 760 mmHg; (17) Vapour Pressure: 0.000152 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1OC)B(O)O
(2) InChI: InChI=1/C8H11BO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5,10-11H,1-2H3
(3) InChIKey: UMGAGEBOUIODFE-UHFFFAOYAK