4-Acetylbutyric acid (C6H10O3)

4-Acetylbutyric acid presents a C6 framework, a carboxylic acid (formula C6H10O3, CAS 3128-06-1). ChemicalHelper Reaction can propose ranked disconnections for 4-Acetylbutyric acid from the SMILES CC(=O)CCCC(=O)O.

Target: 4-Acetylbutyric acid
CAS: 3128-06-1
Formula: C6H10O3
Approx. MW: 130.14
SMILES: CC(=O)CCCC(=O)O
PubChem CID: 18407
Approx. carbons: C6

4-Acetylbutyric acid structure

Properties

IUPAC name: 5-oxohexanoic acid
Common names: 4-Acetylbutyric acid; 5-OXOHEXANOIC ACID; 3128-06-1; 5-Ketohexanoic acid; Hexanoic acid, 5-oxo-; Glurate; 5-Ketocaproic acid; 5-oxo-hexanoic acid; 5-oxocaproic acid; 5-keto-n-caproic acid
Molecular weight: 130.14
Exact mass: 130.06
InChIKey: MGTZCLMLSSAXLD-UHFFFAOYSA-N

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

FAQ

What is the chemical formula of 4-Acetylbutyric acid?

4-Acetylbutyric acid has molecular formula C6H10O3. Molecular weight about 130.14 g·mol⁻¹.

What is the CAS number of 4-Acetylbutyric acid?

The CAS Registry Number for 4-Acetylbutyric acid is 3128-06-1.

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

Start from this SMILES and explore AI retrosynthesis routes for C6H10O3.

Related targets

Similar compounds

3-Methyl-2-oxovaleric acid 4-methyl-2-oxopentanoic acid 2-(carbamoylamino)pentanedioic acid 2-Amino-3-methylpentanoic acid 2-Amino-D-gluconic acid 2-Aminohexanedioic acid

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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.