3-methylbenzoate
- CAS:
- Other names:
- SMILES: Cc1cccc(c1)C([O-])=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 135.14 | 1 | 0 | 0.36 | 40.129999999999995 | 1 | 28 | 0.13 | C8H7O2- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| NT_c0224 | 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-methylbenzoate] | 1.66 | 0.08 | 7.0 | 25.0 | capillary electrophoresis and HPLC | David M. Goodall 1997 |