Benzoic acid
- CAS:
- Other names:
- SMILES: OC(=O)c1ccccc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 122.12 | 2 | 1 | 1.38 | 37.3 | 1 | 25 | 0.00 | C7H6O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| NT_b0126 | 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 |
|---|---|---|---|---|---|---|
| [modified-a-cyclodextrin (35)](1).[Benzoic acid] | 2.74 | 7.2 | 25.0 | Calorimetry | Yu Liu 1998 | |