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Molecule record

2-(hydroxymethyl)benzonitrile

C8H7NO

133.15 g/mol

Loading structure

Molecular properties

Formula
C8H7NO
Molar mass
133.15 g·mol−1
Exact mass
133.0528 Da
6
PubChem CID
13625334

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

  • 2-(Hydroxymethyl)Benzonitrile(Discontinued,See C4X-12145)
  • 2-CYANOBENZYL ALCOHOL
  • 89942-45-0
  • AKOS015995353
  • Benzonitrile, 2-(hydroxymethyl)-
  • Benzonitrile,2-(hydroxymethyl)-
  • CS-W005877
  • DA-01350
Show all 21 synonyms
  • DS-16427
  • DTXCID90496074
  • DTXSID00545289
  • F222893
  • Gimeracil Impurity 14
  • MFCD11111887
  • RefChem:254169
  • SCHEMBL13518666
  • SCHEMBL16955734
  • SCHEMBL30496165
  • SCHEMBL483553
  • SCHEMBL483697
  • SY025433

Structure identifiers

Canonical SMILES
N#Cc1ccccc1CO
Isomeric SMILES
C1=CC=C(C(=C1)CO)C#N
InChI
InChI=1S/C8H7NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,6H2
InChIKey
NWRXEGKWQXAEHC-UHFFFAOYSA-N
PubChem CID
13625334

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-(hydroxymethyl)benzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-(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.

PubChem(link only)
Open source record