Basic information
- Standard SMILES
CCOc1cc2ccccc2c[n+]1[O-]- InChIKey
OJOIQIFNJWAIDW-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 3-ethoxyisoquinoline N-oxide
- IUPAC
- 3-ethoxy-2-oxidoisoquinolin-2-ium
Names & synonyms
3-ethoxyisoquinoline N-oxideSCHEMBL3373405OJOIQIFNJWAIDW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68617552
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Related reactions
5 records
Compound notes
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