Base information
| Cat. No. | |
| CAS No. | 514814-49-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9O2- |
| Molecular Weight | 149.167 |
| Exact Mass | 149.06 |
| XLogP3 | 0.3691 |
| Mr | 40.8515 |
| PSA | 40.13 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CCc1ccccc1 |
