Base information
| Cat. No. | |
| CAS No. | 106531-53-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| Exact Mass | 137.048 |
| XLogP3 | 0.5074 |
| Mr | 34.7428 |
| PSA | 42.35 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC1COc2c1ccnc2 |
