Base information
| Cat. No. | |
| CAS No. | 2171-98-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H28O4Zr |
| Molecular Weight | 327.572 |
| Exact Mass | 326.103 |
| XLogP3 | 3.3012 |
| Mr | 64.658 |
| PSA | 92.24 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 40 |
| Ring number | 0 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Zr+4] |
