Pyridinium, 3-hydroxy-1-methoxy-, hydroxide, inner salt
Basic information
- CAS
101615-77-4- Standard SMILES
CO[n+]1cccc([O-])c1- InChIKey
QSIKSVXXOQDQNV-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767847
Names & identifiers
- Preferred name
- Pyridinium, 3-hydroxy-1-methoxy-, hydroxide, inner salt
- IUPAC
- 1-methoxypyridin-1-ium-3-olate
Names & synonyms
Pyridinium, 3-hydroxy-1-methoxy-, hydroxide, inner salt101615-77-41-methoxypyridin-1-ium-3-olatePyridinium,3-hydroxy-1-methoxy-,hydroxide,inner saltDTXSID70144066
Database identifiers
- CAS
101615-77-4- PubChem CID
- 145371
- DTXSID
DTXSID70144066
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…