Base information
| Cat. No. | |
| CAS No. | 5617-69-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5NO2 |
| Molecular Weight | 111.099 |
| Exact Mass | 111.032 |
| XLogP3 | -0.3923 |
| Mr | 29.0377 |
| PSA | 46.17 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 14 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1NC(=O)C2C1C2 |
