3-CyanoBenzoic acid anion
- CAS:
- Other names:
- SMILES: O=C([O-])C1=CC=CC(C#N)=C1
Properties
MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
---|---|---|---|---|---|---|---|---|
146.12 | 2 | 0 | -0.08 | 63.919999999999995 | 1 | 37 | 0.00 | C8H4NO2- |
Availability
Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
---|---|---|---|---|---|---|
nt0217 | None | Jan. 1, 2023 |
Bar codes
Plate barcode | Sample barcode |
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PAINS
Identified PAINS |
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Not checked |
Supramolecules
Name | log K | SD | pH | T(°C) | Method | Ref |
---|---|---|---|---|---|---|
[a-Cyclodextrin](1).[3-CyanoBenzoic acid anion] | 1.78 | 25.0 | Kenneth A. Connors 1995 | |||