Base information
| Cat. No. | |
| CAS No. | 106988-32-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.173 |
| Exact Mass | 163.063 |
| XLogP3 | 1.4878 |
| Mr | 45.8728 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1cccc(n1)/C=C/C(=O)O |
