Base information
| Cat. No. | |
| CAS No. | 117103-45-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO |
| Molecular Weight | 121.137 |
| Exact Mass | 121.053 |
| XLogP3 | 1.0165 |
| Mr | 33.581 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1Cc2c(O1)cncc2 |
