2-Methyl-4-methoxybenzoic acid

CAS: 6245-57-4

Ref. 3D-FM55038

Product Information

• Name: 2-Methyl-4-methoxybenzoic acid
• Synonyms: 2-Methyl-p-anisic acid, Benzoic acid, 4-methoxy-2-methyl-, 2-Methyl-4-Methoxybenzoic Acid

Description

2-Methyl-4-methoxybenzoic acid is a carboxylate molecule with the chemical formula CH3OOCOOCH2CH2COOH. It has a molecular weight of 218.14 g/mol and is composed of one methyl group, two methoxy groups, and one carboxylate group. The compound has functional theory as its functional group. 2-Methyl-4-methoxybenzoic acid can be found in the gas phase with anhydrous intensities in the Raman spectra. The vibrational frequencies for this molecule are between 1,400 cm−1 and 3,200 cm−1. This molecule has a molecular structure that can be described by three resonance structures:

In the first resonance structure, there are two hydrogen atoms bonded to C=O and two bonds to C=C. In the second resonance structure, there are three hydrogen atoms bonded to C=O and one bond to C

• Brand: Biosynth

Chemical properties

• Molecular weight: 166.17 g/mol
• Formula: C₉H₁₀O₃
• Purity: Min. 95%
• InChI: InChI=1S/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
• InChI key: InChIKey=MSVRGYOYISBGTH-UHFFFAOYSA-N
• SMILES: COc1ccc(C(=O)O)c(C)c1