4-Phenylbutyric Acid (C10H12O2)
4-Phenylbutyric Acid presents a C10 framework, aromatic rings, a carboxylic acid (formula C10H12O2, CAS
1821-12-1). ChemicalTool Reaction can propose ranked disconnections for
4-Phenylbutyric Acid from the SMILES
O=C(O)CCCc1ccccc1.
Properties
4-Phenylbutyric Acid 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of 4-Phenylbutyric Acid?
4-Phenylbutyric Acid has molecular formula C10H12O2. Molecular weight about 164.20 g·mol⁻¹.
What is the CAS number of 4-Phenylbutyric Acid?
The CAS Registry Number for 4-Phenylbutyric Acid is 1821-12-1.
Start from this SMILES and explore AI retrosynthesis routes for C10H12O2.
Related targets
Similar compounds
2-methyl-2-phenylpropanoic acid2-Phenylbutyric acid3-Phenylbutanoic acid4-Isopropylbenzoic acid(+)-O-Acetyl-L-mandelic Acid2-Hydroxyquinoline-4-carboxylic acid
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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.