Base information
| Cat. No. | |
| CAS No. | 100910-66-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO |
| Molecular Weight | 121.137 |
| Exact Mass | 121.053 |
| XLogP3 | 1.2025 |
| Mr | 34.5905 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(C=O)cnc1 |
