Basic information
- Standard SMILES
CCI.CCOC(=O)Cc1ccc[n+]([O-])c1- InChIKey
KZRSDXPWRVDYML-UHFFFAOYSA-N- Molecular formula
- C11H16INO3
- Average molar mass
- 337.15 g/mol
Names & identifiers
- Preferred name
- 3-(2-Ethoxy-2-oxoethyl)pyridine-1-oxide ethyl iodide
- IUPAC
- ethyl 2-(1-oxidopyridin-1-ium-3-yl)acetate;iodoethane
Names & synonyms
SCHEMBL15467725KZRSDXPWRVDYML-UHFFFAOYSA-N3-(2-ethoxy-2-oxoethyl)pyridine-1-oxide ethyl iodide
Database identifiers
- PubChem CID
- 89964688
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 175
Related reactions
2 records
Compound notes
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