HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2-Hydroxy-3,5-dimethylphenyl)methanesulfinic acid
Benzenemethanesulfinic acid, 2-hydroxy-3,5-dimethyl- (9CI)
Identifiers & Physical Properties
| CAS No. | 769867-72-3 |
|---|---|
| Molecular formula | C9H12O3S |
| Average molar mass | 200.26 g/mol |
| Monoisotopic mass | 200.05071541 g/mol |
| SMILES | Cc1cc(C)c(O)c(CS(=O)O)c1 |
| InChIKey | KCQAXQGDZGUKOP-UHFFFAOYSA-N |
| PubChem CID | 12373774 |
| DTXSID | DTXSID10494971 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 76.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 195 |