Base information
| Cat. No. | |
| CAS No. | 2227-57-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.169 |
| Exact Mass | 176.047 |
| XLogP3 | 1.1313 |
| Mr | 47.4478 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C#CC(=O)O |
