Molecular properties
- Formula
- C8H7NO
- Molar mass
- 133.15 g·mol−1
- Exact mass
- 133.0528 Da
- 6
- PubChem CID
- 2734677
Molecule record
3-(hydroxymethyl)benzonitrile
C8H7NO
133.15 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (3-cyanophenyl)methanol
- 3-(Hydroxymethyl)benzonitrile, >=98.0% (GC)
- 3-(hydroxylmethyl)benzonitrile
- 3-Cyanobenzyl alcohol
- 3-HYROXYMETH
- 3-HYROXYMETHYLBENZONITRILE
- 3-cyanobenzylalcohol
- 3-hydroxymethyl-benzonitrile
Show all 24 synonyms
- 628-968-5
- 874-97-5
- AKOS000249108
- Benzonitrile, 3-(hydroxymethyl)-
- CL8196
- DTXSID50370442
- MFCD01321087
- RefChem:495299
- SCHEMBL127878
- SCHEMBL595713
- SCHEMBL7649826
- SCHEMBL92972
- SY052789
- Z335244900
- m-cyanobenzyl alcohol
- orb3029262
Structure identifiers
- Canonical SMILES
- N#Cc1cccc(CO)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)C#N)CO
- InChI
- InChI=1S/C8H7NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,6H2
- InChIKey
- PCOFIIVWHXIDGT-UHFFFAOYSA-N
- PubChem CID
- 2734677
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-(hydroxymethyl)benzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-(hydroxymethyl)benzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.