Basic information
- CAS
61207-11-2- Standard SMILES
Cc1ccc(C2CC(=C=[N-])[N+](=O)O2)cc1- InChIKey
WJKLMQDZWSJXCG-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 3-Isoxazolecarbonitrile, 4,5-dihydro-5-(4-methylphenyl)-, 2-oxide
- IUPAC
- [5-(4-methylphenyl)-2-oxo-1,2-oxazolidin-2-ium-3-ylidene]methylideneazanide
Names & synonyms
61207-11-2DTXSID804855133-Isoxazolecarbonitrile, 4,5-dihydro-5-(4-methylphenyl)-, 2-oxideRefChem:280227DTXCID804363233-Cyano-5-(p-tolyl)-4,5-dihydroisoxazole 2-oxide5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carbonitrile 2-oxide5-(4-Methylphenyl)-2-oxo-4,5-dihydro-1,2lambda~5~-oxazole-3-carbonitrile
Database identifiers
- CAS
61207-11-2- PubChem CID
- 12295705
- DTXSID
DTXSID80485513
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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