3-CyanoBenzoic acid
- CAS:
- Other names: Benzoic acid, m-cyano-; m-Carboxybenzonitrile; m-Cyanobenzoic acid; 3-Cyanobenzoic acid
- SMILES: OC(=O)c1cccc(c1)C#N
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 147.13 | 3 | 1 | 1.26 | 61.089999999999996 | 1 | 37 | 0.00 | C8H5NO2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt0216 | 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-CyanoBenzoic acid] | 2.56 | 25.0 | Kenneth A. Connors 1995 | |||