Base information
| Cat. No. | |
| CAS No. | 2999-46-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.115 |
| Exact Mass | 113.048 |
| XLogP3 | -0.3005 |
| Mr | 26.947 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 14 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [C-]#[N+]CC(=O)OCC |
