Pyridinium, 4-methoxy-1-methyl-
Basic information
- CAS
45714-72-5- Standard SMILES
COc1cc[n+](C)cc1- InChIKey
DLIGKOAPHNHTTL-UHFFFAOYSA-N- Molecular formula
- C7H10NO+
- Average molar mass
- 124.16 g/mol
- Monoisotopic mass
- 124.07623894
Names & identifiers
- Preferred name
- Pyridinium, 4-methoxy-1-methyl-
- IUPAC
- 4-methoxy-1-methylpyridin-1-ium
Names & synonyms
NCI60_005846CHEMBL2008408SCHEMBL10256951DTXSID70963431Pyridinium, 4-methoxy-1-methyl-Methyl(1-methylpyridin-4(1H)-ylidene)oxidanium
Database identifiers
- CAS
45714-72-5- PubChem CID
- 181751
- DTXSID
DTXSID70963431- ChEMBL
CHEMBL2008408- Nikkaji
- J2.738.202I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 77
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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