Base information
| Cat. No. | |
| CAS No. | 835-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.221 |
| Exact Mass | 217.074 |
| XLogP3 | 2.2154 |
| Mr | 59.879 |
| PSA | 70.16 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC(=O)c1c[nH]c2c1cccc2 |
