Basic information
- Standard SMILES
COC(=O)c1ccc2c(ccc[n+]2[O-])c1- InChIKey
NACZEYFVDYESPA-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- Methyl quinoline-6-carboxylate 1-oxide
- IUPAC
- methyl 1-oxidoquinolin-1-ium-6-carboxylate
Names & synonyms
SCHEMBL1285843NACZEYFVDYESPA-UHFFFAOYSA-N6-(Methoxycarbonyl)quinoline-N-oxide6-(methoxycarbonyl)quinoline 1-oxidemethyl quinoline-6-carboxylate 1-oxidequinoline-6-carboxylic acid methyl ester N-oxide
Database identifiers
- PubChem CID
- 21707072
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
5 records
Compound notes
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