Base information
| Cat. No. | |
| CAS No. | 158152-94-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.125 |
| Exact Mass | 125.048 |
| XLogP3 | 0.2551 |
| Mr | 37.1508 |
| PSA | 49.66 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC1=CC(=NC(=O)C1)C |
