3-cyanophenolate ion
- CAS:
- Other names:
- SMILES: [O-]C1=CC=CC(C#N)=C1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 118.11 | 1 | 0 | 1.70 | 46.849999999999994 | 0 | 27 | 0.00 | C7H4NO- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_52x | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[3-cyanophenolate ion] | 2.56 | 10.28 | 25.0 | absorption spectroscopy, NMR | Sanyo Hamai 1997 | |
| [b-Cyclodextrin](1).[3-cyanophenolate ion] | 2.69 | 10.28 | 25.0 | absorption spectroscopy, NMR | Sanyo Hamai 1997 | |