Pyridinium, 4-methoxy-2-(methoxycarbonyl)-1-methyl-, iodide
Basic information
- CAS
86251-49-2- Standard SMILES
COC(=O)c1cc(OC)cc[n+]1C.[I-]- InChIKey
KBURADUTNKNWKB-UHFFFAOYSA-M- Molecular formula
- C9H12INO3
- Average molar mass
- 309.1 g/mol
- Monoisotopic mass
- 308.98619
Names & identifiers
- Preferred name
- Pyridinium, 4-methoxy-2-(methoxycarbonyl)-1-methyl-, iodide
- IUPAC
- methyl 4-methoxy-1-methylpyridin-1-ium-2-carboxylate iodide
Names & synonyms
86251-49-2Pyridinium, 4-methoxy-2-(methoxycarbonyl)-1-methyl-, iodideDTXSID904695264-METHOXY-2-(METHOXYCARBONYL)-1-METHYLPYRIDIN-1-IUM IODIDE
Database identifiers
- CAS
86251-49-2- PubChem CID
- 11616527
- DTXSID
DTXSID90469526
Properties
Computed structural properties
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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