2-dibenzofuran carboxylate
- CAS:
- Other names:
- SMILES: [O-]C(=O)c1ccc2oc3ccccc3c2c1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 211.19 | 1 | 0 | 1.95 | 53.269999999999996 | 1 | 47 | 0.00 | C13H7O3- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C174 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[2-dibenzofuran carboxylate] | 3.26 | 1.95 | 10.0 | 27.0 | NMR spectroscopy | Gustavo González-Gaitano 2004 |
| [g-Cyclodextrin](1).[2-dibenzofuran carboxylate] | 2.78 | 2.30 | 10.0 | 27.0 | NMR spectroscopy | Gustavo González-Gaitano 2004 |
| [g-Cyclodextrin](0.5).[2-dibenzofuran carboxylate] | 3.85 | 3.30 | 10.0 | 27.0 | NMR spectroscopy | Gustavo González-Gaitano 2004 |