4-Methoxybenzoylacetonitrile (C10H9NO2)

4-Methoxybenzoylacetonitrile presents a C10 framework, aromatic rings, basic nitrogen (formula C10H9NO2, CAS 3672-47-7). ChemicalTool Reaction can propose ranked disconnections for 4-Methoxybenzoylacetonitrile from the SMILES COc1ccc(C(=O)CC#N)cc1.

Target: 4-Methoxybenzoylacetonitrile
CAS: 3672-47-7
Formula: C10H9NO2
Approx. MW: 175.19
SMILES: COc1ccc(C(=O)CC#N)cc1
PubChem CID: 233398
Approx. carbons: C10

4-Methoxybenzoylacetonitrile structure

Properties

IUPAC name: 3-(4-methoxyphenyl)-3-oxopropanenitrile
Common names: 4-Methoxybenzoylacetonitrile; RefChem:524734; 678-864-9; 3-(4-methoxyphenyl)-3-oxopropanenitrile; 3672-47-7; Maybridge1_004582; p-methoxybenzoylacetonitrile; Oprea1_697326; SCHEMBL135620; 3-OXO-3-(4-METHOXYPHENYL)PROPIONITRILE
Molecular weight: 175.18
Exact mass: 175.06
InChIKey: IKEPUFCALLUUBC-UHFFFAOYSA-N

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4-Methoxybenzoylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Methoxybenzoylacetonitrile?

4-Methoxybenzoylacetonitrile has molecular formula C10H9NO2. Molecular weight about 175.19 g·mol⁻¹.

What is the CAS number of 4-Methoxybenzoylacetonitrile?

The CAS Registry Number for 4-Methoxybenzoylacetonitrile is 3672-47-7.

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

Open the planner with 4-Methoxybenzoylacetonitrile preloaded, then keep routes that match CAS 3672-47-7.

Related targets

Similar compounds

(+-)-Cotinine 1-(2-Chlorophenyl)piperazine 1-(4-Fluorophenyl)piperazine 1-Methyl-3-phenylpropylamine 2-(4-(Dimethylamino)phenyl)ethanol 2-Amino-p-cymene

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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.