4-(4,4-dimethyl-3,5-dioxopyrazolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4,4-dimethyl-3,5-dioxopyrazolidin-1-yl)benzoic acid
4-(4,4-dimethyl-3,5-dioxopyrazolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8603-0250 |
| Compound Name: | 4-(4,4-dimethyl-3,5-dioxopyrazolidin-1-yl)benzoic acid |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C12 H12 N2 O4 |
| Smiles: | CC1(C)C(NN(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.128 |
| logD: | -1.2672 |
| logSw: | -1.885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.439 |
| InChI Key: | ARGFWPNEVDQZOW-UHFFFAOYSA-N |