4-methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
4-methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
4-methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8014-2166 |
| Compound Name: | 4-methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 245.23 |
| Molecular Formula: | C13 H11 N O4 |
| Smiles: | CC1=CC(N(C1=O)c1cc(ccc1C)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7288 |
| logD: | -0.5433 |
| logSw: | -1.8644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.536 |
| InChI Key: | YXHMXXBDBSEGIW-UHFFFAOYSA-N |