Basic information
- CAS
101558-59-2- Standard SMILES
C[n+]1ccc(C(=O)c2ccccc2)cc1- InChIKey
KIIFMEZUSAELQK-UHFFFAOYSA-N- Molecular formula
- C13H12NO+
- Average molar mass
- 198.24 g/mol
- Monoisotopic mass
- 198.09188901
Names & identifiers
- Preferred name
- Pyridinium, 4-benzoyl-1-methyl-
- IUPAC
- (1-methylpyridin-1-ium-4-yl)-phenylmethanone
Names & synonyms
Pyridinium, 4-benzoyl-1-methyl-101558-59-24-BENZOYL-1-METHYLPYRIDIN-1-IUMSCHEMBL5164430DTXSID20331363
Database identifiers
- CAS
101558-59-2- PubChem CID
- 437705
- DTXSID
DTXSID20331363- Nikkaji
- J1.475.615I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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