(4-Methoxybenzyloxy)acetic acid

The (4-Methoxybenzyloxy)acetic acid, with CAS registry number 88920-24-5, has the systematic name of [(4-methoxybenzyl)oxy]acetic acid. Besides this, it is also called acetic acid, 2-[(4-methoxyphenyl)methoxy]-. And the chemical formula of this chemical is C₁₀H₁₂O₄.

Physical properties of (4-Methoxybenzyloxy)acetic acid: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.76 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 50.423 cm³; (15)Molar Volume: 163.748 cm³; (16)Polarizability: 19.989×10^-24cm³; (17)Surface Tension: 44.022 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 146.912 °C; (20)Enthalpy of Vaporization: 64.767 kJ/mol; (21)Boiling Point: 367.359 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by bromoacetic acid and (4-methoxy-phenyl)-methanol. This reaction will need reagent NaH. The reaction time is 24 hour(s). The yield is about 94%.

Uses of (4-Methoxybenzyloxy)acetic acid: it can be used to produce p-methoxybenzyloxymethyl p-methoxybenzyloxyacetate. This reaction will need reagents I₂, HgO and solvent CCl₄. The reaction time is 5 hour(s). The yield is about 91%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)COCc1ccc(OC)cc1
(2)InChI: InChI=1/C10H12O4/c1-13-9-4-2-8(3-5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(3)InChIKey: XNXTXCKLOBWPQA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H12O4/c1-13-9-4-2-8(3-5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(5)Std. InChIKey: XNXTXCKLOBWPQA-UHFFFAOYSA-N