Molecular properties
- Formula
- C8H7NO
- Molar mass
- 133.15 g·mol−1
- Exact mass
- 133.0528 Da
- 6
- PubChem CID
- 70129
Molecule record
4-methoxybenzonitrile
C8H7NO
133.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ether
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Cyano-4-methoxybenzene
- 1-methoxy-4-cyano-benzene
- 212-871-6
- 4-Cyanoanisole
- 4-anisonitrile
- 4-methoxy benzonitrile
- 4-methoxybenzenecarbonitrile
- 874-90-8
Show all 24 synonyms
- Anisonitrile
- Benzonitrile, 4-methoxy-
- DTXSID0052596
- HMS1760K15
- MFCD00001818
- NSC 3777
- NSC 71539
- NSC3777
- NSC71539
- RefChem:524733
- p-Anisonitrile
- p-Anisylnitrile
- p-Cyanoanisole
- p-Methoxybenzonitrile
- p-Methoxyphenyl cyanide
- para-methoxybenzonitrile
Structure identifiers
- Canonical SMILES
- COc1ccc(C#N)cc1
- Isomeric SMILES
- COC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
- InChIKey
- XDJAAZYHCCRJOK-UHFFFAOYSA-N
- PubChem CID
- 70129
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-methoxybenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methoxybenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.