cyclohexenonecarboxylate
- CAS:
- Other names:
- SMILES: O=C1C(C([O-])=O)=CCCC1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 139.13 | 2 | 0 | -0.58 | 57.199999999999996 | 1 | 41 | 0.43 | C7H7O3- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C156 | 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).[cyclohexenonecarboxylate] | 2.42 | 7.0 | 25.0 | UV-vis spectroscopy, circular dichroism spectroscopy | Kiyomi Kakuchi 2006 | |