3-Methoxy-5-methyl-4,6-dinitro-1-oxidopyridazin-1-ium
Basic information
- CAS
23210-96-0- Standard SMILES
COc1n[n+]([O-])c([N+](=O)[O-])c(C)c1[N+](=O)[O-]- InChIKey
GENZBTQRESKXEN-UHFFFAOYSA-N- Molecular formula
- C6H6N4O6
- Average molar mass
- 230.14 g/mol
- Monoisotopic mass
- 230.02873392
Names & identifiers
- Preferred name
- 3-Methoxy-5-methyl-4,6-dinitro-1-oxidopyridazin-1-ium
- IUPAC
- 3-methoxy-5-methyl-4,6-dinitro-1-oxidopyridazin-1-ium
Names & synonyms
23210-96-0NSC1930333-methoxy-5-methyl-4,6-dinitro-1-oxidopyridazin-1-iumDTXSID00307586NSC-1930333-Methoxy-5-methyl-4,6-dinitro-1-oxo-1lambda~5~-pyridazine
Database identifiers
- CAS
23210-96-0- PubChem CID
- 303669
- DTXSID
DTXSID00307586
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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