HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,6,7-Trimethoxy-3-methyl-2-benzofurancarboxylic acid
Identifiers & Physical Properties
| CAS No. | 63445-54-5 |
|---|---|
| Molecular formula | C13H14O6 |
| Average molar mass | 266.25 g/mol |
| Monoisotopic mass | 266.07903816 g/mol |
| SMILES | COc1cc2c(C)c(C(=O)O)oc2c(OC)c1OC |
| InChIKey | MFFKDRIVJPDBTL-UHFFFAOYSA-N |
| PubChem CID | 12378980 |
| DTXSID | DTXSID701214623 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 78.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 333 |