Benzoic acid,4-borono-2-methoxy- (851335-12-1)

The 3-Methoxy-4-carboxyphenylboronic acid, its cas register number is 851335-12-1. It also can be called as Benzoic acid,4-borono-2-methoxy- and the Systematic name about this chemical is 4-(dihydroxyboranyl)-2-methoxybenzoic acid. It belongs to the following product categories, such as API intermediates, Boronic acid, Aryl, Organoborons and so on. It is a irritant chemical.

Physical properties about 3-Methoxy-4-carboxyphenylboronic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.13; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 86.99Ų; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 45.92 cm³; (11)Molar Volume: 140.2 cm³; (12)Polarizability: 18.2x10^-24cm³; (13)Surface Tension: 60.2 dyne/cm; (14)Enthalpy of Vaporization: 72.33 kJ/mol; (15)Vapour Pressure: 3.5E-08 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1C(O)=O)B(O)O
(2)InChI: InChI=1/C8H9BO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
(3)InChIKey: ASOXJGFTNRPKEN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H9BO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
(5)Std. InChIKey: ASOXJGFTNRPKEN-UHFFFAOYSA-N