HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-hydroxy-5-iodo-3-methoxybenzoate
Identifiers & Physical Properties
| CAS No. | 134419-44-6 |
|---|---|
| Molecular formula | C9H9IO4 |
| Average molar mass | 308.07 g/mol |
| Monoisotopic mass | 307.95455677 g/mol |
| SMILES | COC(=O)c1cc(I)cc(OC)c1O |
| InChIKey | JYTMDVNRUGDPQX-UHFFFAOYSA-N |
| PubChem CID | 15679288 |
| DTXSID | DTXSID301270920 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 209 |