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Molecule record

3-nitrochromen-2-one

C9H5NO4

191.14 g/mol

Loading structure

Molecular properties

Formula
C9H5NO4
Molar mass
191.14 g·mol−1
Exact mass
191.0219 Da
8
PubChem CID
2799766

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 28448-04-6
  • 2H-1-Benzopyran-2-one, 3-nitro-
  • 3-Nitro-2H-1-benzopyran-2-one
  • 3-Nitrocoumarin, 10 mM in DMSO
  • 3-nitro-2H-chromen-2-one
  • 3-nitrocoumarin
  • 877-970-4
  • AKOS006272481
Show all 24 synonyms
  • CHEMBL70729
  • Coumarin, 3-nitro-
  • Cyto1A11
  • DA-69984
  • DBA44804
  • DTXSID10384106
  • HMS545H12
  • MFCD00233577
  • MS-23030
  • Maybridge1_001398
  • RefChem:504420
  • SBB091241
  • SCHEMBL1046782
  • UT6T82NTW8
  • orb1710573
  • orb2901846

Structure identifiers

Canonical SMILES
O=c1oc2ccccc2cc1[N+](=O)[O-]
Isomeric SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)[N+](=O)[O-]
InChI
InChI=1S/C9H5NO4/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5H
InChIKey
YTCVPEZECJYZRK-UHFFFAOYSA-N
PubChem CID
2799766

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-nitrochromen-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-nitrochromen-2-one; 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