3,5-Dimethyl-4-methoxybenzoic acid

CAS: 21553-46-8

Ref. 3D-FD03324

Product Information

• Name: 3,5-Dimethyl-4-methoxybenzoic acid
• Brand: Biosynth
• Description: 3,5-Dimethyl-4-methoxybenzoic acid is a disulphide monomer with the chemical formula C7H8O2S. It can be used as a building block for organic synthesis. This compound has been widely studied because it contains a benzyl group, which is the simplest aromatic system. The symmetric and asymmetric vibrational frequencies of 3,5-dimethyl-4-methoxybenzoic acid have been measured by nmr spectroscopy and theory. The thermodynamic properties of this compound have also been studied by molecular dynamics simulations and quantum chemical calculations.

Chemical properties

• Molecular weight: 180.2 g/mol
• Formula: C₁₀H₁₂O₃
• Purity: Min. 95%
• InChI: InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)
• InChI key: InChIKey=WXVQURJGDUNJCS-UHFFFAOYSA-N
• SMILES: COc1c(C)cc(C(=O)O)cc1C