Molecular properties
- Formula
- C10H5NO2
- Molar mass
- 171.15 g·mol−1
- Exact mass
- 171.0320 Da
- 9
- PubChem CID
- 15504775
Molecule record
2-oxochromene-4-carbonitrile
C10H5NO2
171.15 g/mol
Loading structure
Functional groups
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 4-cyanocoumarin
- InChI=1/C10H5NO2/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H
- JZHIRLLIDOTAHO-UHFFFAOYSA-
- SCHEMBL1720167
Structure identifiers
- Canonical SMILES
- N#Cc1cc(=O)oc2ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=CC(=O)O2)C#N
- InChI
- InChI=1S/C10H5NO2/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H
- InChIKey
- JZHIRLLIDOTAHO-UHFFFAOYSA-N
- PubChem CID
- 15504775
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 2-oxochromene-4-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-oxochromene-4-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.