Basic information
- CAS
55400-74-3- Standard SMILES
Cc1cccc[n+]1OCc1ccccc1- InChIKey
KXNMFGRYGHPQRO-UHFFFAOYSA-N- Molecular formula
- C13H14NO+
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.10753907
Names & identifiers
- Preferred name
- 1-(Benzyloxy)-2-methylpyridin-1-ium
- IUPAC
- 2-methyl-1-phenylmethoxypyridin-1-ium
Names & synonyms
1-(benzyloxy)-2-methylpyridin-1-iumSCHEMBL10183427DTXSID1012898842-Methyl-1-(phenylmethoxy)pyridinium55400-74-3
Database identifiers
- CAS
55400-74-3- PubChem CID
- 3696833
- DTXSID
DTXSID101289884- Nikkaji
- J304.685K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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