Basic information
- CAS
38495-55-5- Standard SMILES
C[n+]1cccc(C(=O)c2ccccc2)c1- InChIKey
QYRCSCQNZOBIFU-UHFFFAOYSA-N- Molecular formula
- C13H12NO+
- Average molar mass
- 198.24 g/mol
- Monoisotopic mass
- 198.09188901
Names & identifiers
- Preferred name
- Pyridinium, 3-benzoyl-1-methyl-
- IUPAC
- (1-methylpyridin-1-ium-3-yl)-phenylmethanone
- English name
- 3-Benzoyl-1-methylpyridinium
- Molecular formula
- C13H12NO+
- Molecular weight
- 198.24
Names & synonyms
Pyridinium, 3-benzoyl-1-methyl-38495-55-53-BENZOYL-1-METHYLPYRIDIN-1-IUM(1-methylpyridin-1-ium-3-yl)-phenylmethanone3-benzoyl-1-methylpyridiniumSCHEMBL10256967DTXSID903283811-methyl(3-pyridyl) phenyl ketoneSBB092315(1-methylpyridin-1-ium-3-yl)-phenyl-methanoneAC-907/25005231
Database identifiers
- CAS
38495-55-5- PubChem CID
- 409757
- DTXSID
DTXSID90328381- Nikkaji
- J1.141.847C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 221
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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