4-Methylbenzoic acid (C8H8O2)

4-Methylbenzoic acid presents a C8 framework, aromatic rings, a carboxylic acid (formula C8H8O2, CAS 99-94-5). ChemicalHelper Reaction can propose ranked disconnections for 4-Methylbenzoic acid from the SMILES Cc1ccc(C(=O)O)cc1.

Target: 4-Methylbenzoic acid
CAS: 99-94-5
Formula: C8H8O2
Approx. MW: 136.15
SMILES: Cc1ccc(C(=O)O)cc1
PubChem CID: 7470
Approx. carbons: C8

4-Methylbenzoic acid structure

Properties

Molecular weight: 136.15

View on PubChem

4-Methylbenzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Methylbenzoic acid?

4-Methylbenzoic acid has molecular formula C8H8O2. Molecular weight about 136.15 g·mol⁻¹.

What is the CAS number of 4-Methylbenzoic acid?

The CAS Registry Number for 4-Methylbenzoic acid is 99-94-5.

Run AI retrosynthesis for 4-Methylbenzoic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H8O2.

Related targets

Similar compounds

3-Methylbenzoic acid O-Toluic Acid Phenylacetic Acid 2-(4-Fluorophenyl)acetic acid 2-amino-2-(4-hydroxyphenyl)acetic acid 2-Amino-3-methoxybenzoic acid

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.