Isopropyl 2-cyanoacetate (C6H9NO2)

Looking for routes to isopropyl 2-cyanoacetate? isopropyl 2-cyanoacetate presents a C6 framework, basic nitrogen. Use the planner with prefilled SMILES, or copy CC(C)OC(=O)CC#N (CAS 13361-30-3).

Target: Isopropyl 2-cyanoacetate
CAS: 13361-30-3
Formula: C6H9NO2
Approx. MW: 127.14
SMILES: CC(C)OC(=O)CC#N
PubChem CID: 25917
Approx. carbons: C6

Isopropyl 2-cyanoacetate structure

Properties

Molecular weight: 127.14

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Isopropyl 2-cyanoacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropyl 2-cyanoacetate?

Isopropyl 2-cyanoacetate has molecular formula C6H9NO2. Molecular weight about 127.14 g·mol⁻¹.

What is the CAS number of Isopropyl 2-cyanoacetate?

The CAS Registry Number for Isopropyl 2-cyanoacetate is 13361-30-3.

Run AI retrosynthesis for Isopropyl 2-cyanoacetate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H9NO2.

Related targets

Similar compounds

N-Ethylsuccinimide Propyl cyanoacetate (1-Aminocyclopentyl)methanol (3R)-3-aminoazepan-2-one (Butylamino)acetonitrile 1-Cyanoallyl acetate

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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.