4-Methoxybenzonitrile (C8H7NO)

Looking for routes to 4-Methoxybenzonitrile? 4-Methoxybenzonitrile presents a C8 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy COc1ccc(C#N)cc1 (CAS 874-90-8).

Target: 4-Methoxybenzonitrile
CAS: 874-90-8
Formula: C8H7NO
Approx. MW: 133.15
SMILES: COc1ccc(C#N)cc1
PubChem CID: 70129
Approx. carbons: C8

4-Methoxybenzonitrile structure

Properties

Molecular weight: 133.15

View on PubChem

4-Methoxybenzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Methoxybenzonitrile?

4-Methoxybenzonitrile has molecular formula C8H7NO. Molecular weight about 133.15 g·mol⁻¹.

What is the CAS number of 4-Methoxybenzonitrile?

The CAS Registry Number for 4-Methoxybenzonitrile is 874-90-8.

Run AI retrosynthesis for 4-Methoxybenzonitrile Target catalog AI tools overview

One click loads 4-Methoxybenzonitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

4-Hydroxybenzyl cyanide (Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 1-Phenylethanamine 2-(2-Chlorophenyl)ethylamine 2-(Piperazin-1-yl)pyrimidine

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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.