HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methoxy-2-pentyloxybenzoic acid
Identifiers & Physical Properties
| Molecular formula | C13H18O4 |
|---|---|
| Average molar mass | 238.28 g/mol |
| SMILES | CCCCCOc1c(OC)cccc1C(=O)O |
| InChIKey | UAEHHTFQBIIDRV-UHFFFAOYSA-N |
| PubChem CID | 19363377 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 229 |