Aspirin (C9H8O4)
aspirin presents a C9 framework, aromatic rings, a carboxylic acid (formula C9H8O4, CAS
50-78-2). ChemicalTool Reaction can propose ranked disconnections for
aspirin from the SMILES
CC(=O)Oc1ccccc1C(=O)O.
Properties
Example route
AI-precomputed example (not literature-verified). Full route page
Acetylate salicylic acid with acetic anhydride (often catalytic acid) to give aspirin. … (2 steps total)
Acetylate salicylic acid with acetic anhydride (often catalytic acid) to give aspirin. → Prepare salicylic acid from phenol via carboxylation at elevated temperature and pressure.
Aspirin 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of Aspirin?
Aspirin has molecular formula C9H8O4. Molecular weight about 180.16 g·mol⁻¹.
How can Aspirin be synthesized?
Acetylate salicylic acid with acetic anhydride (often catalytic acid) to give aspirin. Then Prepare salicylic acid from phenol via carboxylation at elevated temperature and pressure.
What is the CAS number of Aspirin?
The CAS Registry Number for Aspirin is 50-78-2.
Start from this SMILES and explore AI retrosynthesis routes for C9H8O4.
Related targets
Similar compounds
Browse the full target catalog
References & tools
- ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.