HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Hydroxybut-1-yn-1-yl)benzoic acid
Identifiers & Physical Properties
| CAS No. | 827321-91-5 |
|---|---|
| Molecular formula | C11H10O3 |
| Average molar mass | 190.19 g/mol |
| Monoisotopic mass | 190.06299418 g/mol |
| SMILES | O=C(O)c1ccc(C#CCCO)cc1 |
| InChIKey | ARYFWUPWLDKSPD-UHFFFAOYSA-N |
| PubChem CID | 71417536 |
| DTXSID | DTXSID10836872 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 250 |