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Molecule record

2-cyanoethyl benzoate

C10H9NO2

175.19 g/mol

Loading structure

Molecular properties

Formula
C10H9NO2
Molar mass
175.19 g·mol−1
Exact mass
175.0633 Da
7
PubChem CID
219225

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ester
Ether
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-cyanoethylbenzoate
  • 5325-95-1
  • 997-152-1
  • AKOS029458701
  • DTXCID901395398
  • DTXSID20967803
  • EN300-138100
  • FAA32595
Show all 17 synonyms
  • G23882
  • HYDRACRYLONITRILE, BENZOATE
  • NSC-237
  • NSC237
  • RefChem:470740
  • SCHEMBL7761107
  • SCHEMBL8593915
  • Z54336333
  • cyanoethyl benzoate

Structure identifiers

Canonical SMILES
N#CCCOC(=O)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C(=O)OCCC#N
InChI
InChI=1S/C10H9NO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey
HABHYLALRAEBKY-UHFFFAOYSA-N
PubChem CID
219225

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-cyanoethyl benzoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-cyanoethyl benzoate; 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