Basic information
- Standard SMILES
COc1ccc[n+]([O-])n1- InChIKey
KGNNVJIJXBMLAE-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2
- Average molar mass
- 126.11 g/mol
Names & identifiers
- Preferred name
- 3-Methoxypyridazine 1-oxide
- IUPAC
- 3-methoxy-1-oxidopyridazin-1-ium
Names & synonyms
3-methoxypyridazine 1-oxide23200-93-33-methoxy-1-oxidopyridazin-1-ium3-METHOXYPYRIDAZINE1-OXIDE3-methoxypyridazin-1-ol3-methoxypyridazine N-oxide3-methoxypyridazine-1-oxide3-methoxy-pyridazine-1-oxideSCHEMBL4923326SCHEMBL8646563SCHEMBL11682760KGNNVJIJXBMLAE-UHFFFAOYSA-N
Show more names
SBB085635AKOS006273639CS-0090329D74921AC-907/25004443
Database identifiers
- PubChem CID
- 6401327
- Nikkaji
- J151.454G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Related reactions
1 records
Compound notes
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