3-Phenylbutanoic acid (C10H12O2)

3-Phenylbutanoic acid presents a C10 framework, aromatic rings, a carboxylic acid (formula C10H12O2, CAS 4593-90-2). ChemicalTool Reaction can propose ranked disconnections for 3-Phenylbutanoic acid from the SMILES CC(CC(=O)O)c1ccccc1.

Target: 3-Phenylbutanoic acid
CAS: 4593-90-2
Formula: C10H12O2
Approx. MW: 164.20
SMILES: CC(CC(=O)O)c1ccccc1
PubChem CID: 20724
Approx. carbons: C10

3-Phenylbutanoic acid structure

Properties

Molecular weight: 164.20

View on PubChem

3-Phenylbutanoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Phenylbutanoic acid?

3-Phenylbutanoic acid has molecular formula C10H12O2. Molecular weight about 164.20 g·mol⁻¹.

What is the CAS number of 3-Phenylbutanoic acid?

The CAS Registry Number for 3-Phenylbutanoic acid is 4593-90-2.

Run AI retrosynthesis for 3-Phenylbutanoic acid Target catalog AI tools overview

Open the planner with 3-Phenylbutanoic acid preloaded, then keep routes that match CAS 4593-90-2.

Related targets

Similar compounds

2-methyl-2-phenylpropanoic acid 2-Phenylbutyric acid 4-Isopropylbenzoic acid 4-Phenylbutyric Acid (+)-O-Acetyl-L-mandelic Acid 2-Hydroxyquinoline-4-carboxylic acid

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.