Molecule record

1H-imidazol-2-yl acetate

C5H6N2O2

126.11 g/mol

Loading structure

Molecular properties

Formula
C5H6N2O2
Molar mass
126.11 g·mol−1
Exact mass
126.0429 Da
4
PubChem CID
558451

Functional groups

Alkane / alkyl carbon
Ester
Ether

Physical properties

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

Common names and synonyms

  • 1H-Imidazol-2-yl acetate #
  • 2-acetoxyimidazole
  • 958999-68-3
  • Imidazole, 2-acetoxy-
  • OMGYTVVBPGIUTH-UHFFFAOYSA-N
  • SCHEMBL145933

Structure identifiers

Canonical SMILES
CC(=O)Oc1ncc[nH]1
Isomeric SMILES
CC(=O)OC1=NC=CN1
InChI
InChI=1S/C5H6N2O2/c1-4(8)9-5-6-2-3-7-5/h2-3H,1H3,(H,6,7)
InChIKey
OMGYTVVBPGIUTH-UHFFFAOYSA-N
PubChem CID
558451

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 1H-imidazol-2-yl acetate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1H-imidazol-2-yl acetate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record