Molecular properties
- Formula
- C3H2N2O3
- Molar mass
- 114.06 g·mol−1
- Exact mass
- 114.0065 Da
- 4
- PubChem CID
- 13009112
Molecule record
3-nitro-1,2-oxazole
C3H2N2O3
114.06 g/mol
Loading structure
Functional groups
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-nitroisoxazole
- 39485-31-9
- DB-003425
- SCHEMBL2041076
- SCHEMBL2047628
- SCHEMBL3466683
- nitroisoxazole
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ccon1
- Isomeric SMILES
- C1=CON=C1[N+](=O)[O-]
- InChI
- InChI=1S/C3H2N2O3/c6-5(7)3-1-2-8-4-3/h1-2H
- InChIKey
- AOIHSSHDSKUPRK-UHFFFAOYSA-N
- PubChem CID
- 13009112
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-nitro-1,2-oxazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nitro-1,2-oxazole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.