1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium
Completing data — refresh the page later to see the latest
Basic information
- CAS
50566-67-1- Standard SMILES
Cc1cc(C)[n+](-c2ccccc2C(=O)O)c(C)c1- InChIKey
VFKLFDFKIGUUCT-UHFFFAOYSA-O- Molecular formula
- C15H16NO2+
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.11810375
Names & identifiers
- Preferred name
- 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium
- IUPAC
- 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid
- English name
- 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium
- Molecular formula
- C15H16NO2+
- Molecular weight
- 242.29
Names & synonyms
1-(2-carboxyphenyl)-2,4,6-trimethylpyridinium50566-67-11-(2-Carboxyphenyl)-2,4,6-trimethylpyridin-1-ium2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acidAO-840/40321155SBB0995892-(2,4,6-trimethylpyridyl)benzoic acid1-(2-carboxyphenyl)-2,4,6-trimethyl-11-(2-carboxyphenyl)-2,4,6-trimethyl-1|E?-pyridin-1-ylium
Database identifiers
- CAS
50566-67-1- PubChem CID
- 820471
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…