HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-hydroxy-6-methyl-3-nitrobenzoate
Identifiers & Physical Properties
| CAS No. | 89586-12-9 |
|---|---|
| Molecular formula | C9H9NO5 |
| Average molar mass | 211.17 g/mol |
| Monoisotopic mass | 211.04807239 g/mol |
| SMILES | COC(=O)c1c(C)ccc([N+](=O)[O-])c1O |
| InChIKey | YASJHCFIYVSVJB-UHFFFAOYSA-N |
| PubChem CID | 13114709 |
| DTXSID | DTXSID80519049 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 92.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 262 |