Basic information
- CAS
128733-90-4- Standard SMILES
Cc1ccc(O)c(C(=O)C[n+]2ccccc2)c1.[Cl-]- InChIKey
UXTADWSRNDXRIU-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0713064
Names & identifiers
- Preferred name
- Pyridinium, 1-[2-(2-hydroxy-5-methylphenyl)-2-oxoethyl]-, chloride (1:1)
- IUPAC
- 1-(2-hydroxy-5-methylphenyl)-2-pyridin-1-ium-1-ylethanone chloride
Names & synonyms
DTXSID801379888Pyridinium, 1-[2-(2-hydroxy-5-methylphenyl)-2-oxoethyl]-, chloride (1:1)128733-90-4
Database identifiers
- CAS
128733-90-4- PubChem CID
- 14740596
- DTXSID
DTXSID801379888
Properties
Computed structural properties
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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