Methyl but-2-ynoate (C5H6O2)

methyl but-2-ynoate presents a C5 framework, an ester, unsaturation (formula C5H6O2, CAS 23326-27-4). ChemicalTool Reaction can propose ranked disconnections for methyl but-2-ynoate from the SMILES CC#CC(=O)OC.

Target: Methyl but-2-ynoate
CAS: 23326-27-4
Formula: C5H6O2
Approx. MW: 98.10
SMILES: CC#CC(=O)OC
PubChem CID: 141019
Approx. carbons: C5

Methyl but-2-ynoate structure

Properties

Molecular weight: 98.10

View on PubChem

Methyl but-2-ynoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl but-2-ynoate?

Methyl but-2-ynoate has molecular formula C5H6O2. Molecular weight about 98.10 g·mol⁻¹.

What is the CAS number of Methyl but-2-ynoate?

The CAS Registry Number for Methyl but-2-ynoate is 23326-27-4.

Run AI retrosynthesis for Methyl but-2-ynoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H6O2.

Related targets

Similar compounds

Ethyl propiolate 2-Hydroxyethyl Acrylate Allyl methyl carbonate Itaconic anhydride methyl 2-hydroxybut-3-enoate 2-Methoxyethyl Acrylate

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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.