3-Methylbenzoic acid
- CAS:
- Other names: m-Toluic acid; m-Methylbenzoic acid; m-Toluylic acid; 3-Methylbenzoic acid; meta-Toluic acid
- SMILES: Cc1cccc(c1)C(O)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 136.15 | 2 | 1 | 1.69 | 37.3 | 1 | 28 | 0.13 | C8H8O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt1466 | 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).[3-Methylbenzoic acid] | 7.11 | 25.0 | Kenneth A. Connors 1995 | |||