4-toluic acid
- CAS:
- Other names:
- SMILES: Cc1ccc(cc1)C(O)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 136.15 | 2 | 1 | 1.69 | 37.3 | 1 | 27 | 0.13 | C8H8O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1529 | 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).[4-toluic acid ] | 1.98 | 0.30 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 |
| [mono-(6-amino-6-deoxy)-b-CD](1).[4-toluic acid ] | 2.45 | 0.90 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 |