Base information
| Cat. No. | |
| CAS No. | 77311-07-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5NO2 |
| Molecular Weight | 111.099 |
| Exact Mass | 111.032 |
| XLogP3 | 0.8772 |
| Mr | 26.6975 |
| PSA | 43.1 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ncco1 |
