1-Cyanoallyl acetate (C6H7NO2)

Looking for routes to 1-Cyanoallyl acetate? 1-Cyanoallyl acetate presents a C6 framework, basic nitrogen, unsaturation. Use the planner with prefilled SMILES, or copy C=CC(C#N)OC(C)=O (CAS 15667-63-7).

Target: 1-Cyanoallyl acetate
CAS: 15667-63-7
Formula: C6H7NO2
Approx. MW: 125.13
SMILES: C=CC(C#N)OC(C)=O
PubChem CID: 85891
Approx. carbons: C6

1-Cyanoallyl acetate structure

Properties

Molecular weight: 125.13

View on PubChem

1-Cyanoallyl acetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Cyanoallyl acetate?

1-Cyanoallyl acetate has molecular formula C6H7NO2. Molecular weight about 125.13 g·mol⁻¹.

What is the CAS number of 1-Cyanoallyl acetate?

The CAS Registry Number for 1-Cyanoallyl acetate is 15667-63-7.

Run AI retrosynthesis for 1-Cyanoallyl acetate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H7NO2.

Related targets

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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.