Base information
| Cat. No. | |
| CAS No. | 86454-13-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.135 |
| Exact Mass | 153.043 |
| XLogP3 | 0.3815 |
| Mr | 38.988 |
| PSA | 70.16 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc(C)[nH]c(=O)c1 |
