Base information
| Cat. No. | |
| CAS No. | 16744-81-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| Exact Mass | 137.048 |
| XLogP3 | 0.9027 |
| Mr | 36.1165 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccnc(c1)C=O |
