HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(Acetyloxy)-4-hydroxy-6-methyl-3-pyridinecarboxylic acid
Identifiers & Physical Properties
| CAS No. | 141703-21-1 |
|---|---|
| Molecular formula | C9H9NO5 |
| Average molar mass | 211.17 g/mol |
| Monoisotopic mass | 211.04807239 g/mol |
| SMILES | CC(=O)Oc1c(C)[nH]cc(C(=O)O)c1=O |
| InChIKey | VRSXGKBZWCAKKV-UHFFFAOYSA-N |
| PubChem CID | 85642992 |
| DTXSID | DTXSID401191400 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 92.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 405 |