2,4-dimethyl benzoate ion
- CAS:
- Other names:
- SMILES: O=C([O-])C1=CC=C(C)C=C1C
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 149.17 | 1 | 0 | 0.67 | 40.129999999999995 | 1 | 31 | 0.22 | C9H9O2- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_349 | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[2,4-dimethyl benzoate ion] | 1.65 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [b-Cyclodextrin](1).[2,4-dimethyl benzoate ion] | 1.62 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltodecaose](1).[2,4-dimethyl benzoate ion] | 0.60 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltododecaose](1).[2,4-dimethyl benzoate ion] | 0.85 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltononaose](1).[2,4-dimethyl benzoate ion] | 0.48 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltotridecaose](1).[2,4-dimethyl benzoate ion] | 0.78 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltoundecaose](1).[2,4-dimethyl benzoate ion] | 0.70 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [g-Cyclodextrin](1).[2,4-dimethyl benzoate ion] | 0.90 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||