Base information
| Cat. No. | |
| CAS No. | 100849-36-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 181.14 |
| Exact Mass | 181.083 |
| XLogP3 | 1.795 |
| Mr | 49.8435 |
| PSA | 53.09 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C[13c]1[13cH][13c]2c([nH]1)c[13cH][13cH][13cH]2 |
