HuagongsheHuagongshe Chemistry Print Report · For research reference only
[(4,5-Dimethoxy-2-nitrophenyl)-thio]acetic acid
![[(4,5-Dimethoxy-2-nitrophenyl)-thio]acetic acid molecular structure](/img/chemical/20522283.png)
Identifiers & Physical Properties
| Molecular formula | C10H11NO6S |
|---|---|
| Average molar mass | 273.26 g/mol |
| Monoisotopic mass | 273.03070824 g/mol |
| SMILES | COc1cc(SCC(=O)O)c([N+](=O)[O-])cc1OC |
| InChIKey | KZIRAQADHKXFMW-UHFFFAOYSA-N |
| PubChem CID | 20522283 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 127 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 5 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 307 |