Base information
| Cat. No. | |
| CAS No. | 76554-31-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H15ClO4 |
| Molecular Weight | 318.752 |
| Exact Mass | 318.066 |
| XLogP3 | 3.9589 |
| Mr | 86.2655 |
| PSA | 55.76 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1cc(O)c(c(c1)OC)C(=O)C=Cc1ccc(cc1)Cl |
