Molecular properties
- Formula
- C8H7NO
- Molar mass
- 133.15 g·mol−1
- Exact mass
- 133.0528 Da
- 6
- PubChem CID
- 73712
Molecule record
3-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
- 1527-89-5
- 216-201-3
- 3-Cyanoanisole
- 3-Methoxybenzonitrile, 98%
- 3-anisonitrile
- 3-cyano-anisole
- 3-methoxy benzonitrile
- 3-methoxybenzenecarbonitrile
Show all 24 synonyms
- 5-methoxybenzonitrile
- Benzonitrile, 3-methoxy-
- Benzonitrile, m-methoxy-
- DTXCID4034940
- DTXSID4074695
- EINECS 216-201-3
- MFCD00001801
- NSC-225049
- RefChem:94632
- UNII-UY5E89BBS6
- UY5E89BBS6
- m-Anisonitrile
- m-Cyanoanisole
- m-Methoxybenzonitrile
- m-Methoxybenzontrile
- meta-methoxybenzonitrile
Structure identifiers
- Canonical SMILES
- COc1cccc(C#N)c1
- Isomeric SMILES
- COC1=CC=CC(=C1)C#N
- InChI
- InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
- InChIKey
- KLXSUMLEPNAZFK-UHFFFAOYSA-N
- PubChem CID
- 73712
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 3-methoxybenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methoxybenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.