3-tolylacetic acid
- CAS:
- Other names:
- SMILES: Cc1cccc(CC(O)=O)c1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 150.17 | 2 | 1 | 1.62 | 37.3 | 2 | 33 | 0.22 | C9H10O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1564 | 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 |
|---|---|---|---|---|---|---|
| [mono-(6-amino-6-deoxy)-b-CD](1).[3-tolylacetic acid] | 1.73 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 | |
| [b-Cyclodextrin](1).[3-tolylacetic acid] | 1.08 | 0.15 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 |