HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Cyclopropyl-4-(hydroxymethyl)-2-methylbenzoic acid
Identifiers & Physical Properties
| Molecular formula | C12H14O3 |
|---|---|
| Average molar mass | 206.24 g/mol |
| Monoisotopic mass | 206.0942943 g/mol |
| SMILES | Cc1c(C(=O)O)ccc(CO)c1C1CC1 |
| InChIKey | BFTVVJZORVBNJU-UHFFFAOYSA-N |
| PubChem CID | 67429673 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 247 |