Base information
| Cat. No. | |
| CAS No. | 210300-09-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.135 |
| Exact Mass | 169.038 |
| XLogP3 | 0.494 |
| Mr | 39.7113 |
| PSA | 79.65 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccnc(c1O)C(=O)O |
