4-(3-Acetylphenyl)pyridine-3-carboxylic acid
Basic information
- CAS
1261908-09-1- Standard SMILES
CC(=O)c1cccc(-c2ccncc2C(=O)O)c1- InChIKey
GAUOVQZXMHKVCW-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 4-(3-Acetylphenyl)pyridine-3-carboxylic acid
- IUPAC
- 4-(3-acetylphenyl)pyridine-3-carboxylic acid
Names & synonyms
1261908-09-14-(3-acetylphenyl)pyridine-3-carboxylic acid4-(3-ACETYLPHENYL)NICOTINIC ACIDSCHEMBL2560779DTXSID00692525MFCD183234524-(3-Acetylphenyl)nicotinic acid, 95%
Database identifiers
- CAS
1261908-09-1- PubChem CID
- 53229293
- DTXSID
DTXSID00692525
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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