Base information
| Cat. No. | |
| CAS No. | 527681-13-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.145 |
| Exact Mass | 181.038 |
| XLogP3 | 0.551 |
| Mr | 42.0663 |
| PSA | 68.65 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ncc2c(c1)OCCO2 |
