Base information
| Cat. No. | |
| CAS No. | 617-89-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| Exact Mass | 97.0528 |
| XLogP3 | 1.4386 |
| Mr | 26.3814 |
| PSA | 39.16 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NCc1ccco1 |
