Base information
| Cat. No. | |
| CAS No. | 1591-99-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.174 |
| Exact Mass | 147.068 |
| XLogP3 | 2.2707 |
| Mr | 44.1555 |
| PSA | 29.43 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1c(cccc1C)N=C=O |
