ChemArche
Sign inAccount

Molecule record

(3-cyanophenyl) acetate

C9H7NO2

161.16 g/mol

Loading structure

Molecular properties

Formula
C9H7NO2
Molar mass
161.16 g·mol−1
Exact mass
161.0477 Da
7
PubChem CID
294521

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

  • 3-Acetoxybenzonitrile
  • 55682-11-6
  • 654-741-5
  • AKOS006243228
  • C9H7NO2
  • CHEMBL14146
  • DB-247006
  • DTXCID10255004
Show all 17 synonyms
  • DTXSID10303872
  • InChI=1/C9H7NO2/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,1H
  • NSC-163145
  • NSC163145
  • RefChem:500647
  • SCHEMBL10547627
  • SCHEMBL16955730
  • SCHEMBL30676498
  • m-acetoxybenzonitrile

Structure identifiers

Canonical SMILES
CC(=O)Oc1cccc(C#N)c1
Isomeric SMILES
CC(=O)OC1=CC=CC(=C1)C#N
InChI
InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey
HSNBGFVFXQYLMI-UHFFFAOYSA-N
PubChem CID
294521

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 (3-cyanophenyl) acetate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (3-cyanophenyl) acetate; 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