HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(3-Acetylphenyl)-picolinic acid
5-(3-Acetylphenyl)-2-pyridinecarboxylic acid
Identifiers & Physical Properties
| CAS No. | 1242339-32-7 |
|---|---|
| Molecular formula | C14H11NO3 |
| Average molar mass | 241.24 g/mol |
| Monoisotopic mass | 241.07389321 g/mol |
| SMILES | CC(=O)c1cccc(-c2ccc(C(=O)O)nc2)c1 |
| InChIKey | MAOPBHRIVVWWTI-UHFFFAOYSA-N |
| PubChem CID | 50998564 |
| DTXSID | DTXSID40679310 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 67.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 329 |