Boronic acid,B-[2-(methoxymethyl)phenyl]- (126617-98-9)

The 2-Methoxymethylphenylboronic acid with the cas number 126617-98-9 is also called Boronicacid, [2-(methoxymethyl)phenyl]- (9CI). Both the systematic name and IUPAC name are [2-(methoxymethyl)phenyl]boronic acid. Its molecular formula is C₈H₁₁BO₃. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Boronic acids; (4)Alkoxy; (5)Aryl; (6)Organoborons.

The properties of the chemical are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 27.69 Å²; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 44.28 cm³; (9)Molar Volume: 146 cm³; (10)Polarizability: 17.55×10^-24cm³; (11)Surface Tension: 41.3 dyne/cm; (12)Enthalpy of Vaporization: 58.13 kJ/mol; (13)Vapour Pressure: 0.000269 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)Cc1ccccc1B(O)O
(2)InChI: InChI=1/C8H11BO3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5,10-11H,6H2,1H3
(3)InChIKey: JHPPAFXQJZJGEP-UHFFFAOYAX