Basic information
- CAS
16183-84-9- Standard SMILES
O=C(O)c1ccc[n+](Cc2ccccc2)c1- InChIKey
AVWFAACIXBQMBF-UHFFFAOYSA-O- Molecular formula
- C13H12NO2+
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.08680363
Names & identifiers
- Preferred name
- 1-Benzyl-3-carboxypyridinium
- IUPAC
- 1-benzylpyridin-1-ium-3-carboxylic acid
Names & synonyms
1-benzyl-3-carboxypyridiniumDTXSID8027581516183-84-9RefChem:228008DTXCID702081321-BENZYL-3-CARBOXYPYRIDIN-1-IUMSCHEMBL125500SCHEMBL30057272
Database identifiers
- CAS
16183-84-9- PubChem CID
- 85231
- DTXSID
DTXSID80275815- Nikkaji
- J281.608C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 236
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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