Molecular properties
- Formula
- C9H5NO4
- Molar mass
- 191.14 g·mol−1
- Exact mass
- 191.0219 Da
- 8
- PubChem CID
- 12258643
Molecule record
3-nitrochromen-4-one
C9H5NO4
191.14 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-nitrochromone
- SCHEMBL11227684
Structure identifiers
- Canonical SMILES
- O=c1c([N+](=O)[O-])coc2ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=O)C(=CO2)[N+](=O)[O-]
- InChI
- InChI=1S/C9H5NO4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H
- InChIKey
- NQNLVRGWKBTARN-UHFFFAOYSA-N
- PubChem CID
- 12258643
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 3-nitrochromen-4-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nitrochromen-4-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.