1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y043-0930 |
| Compound Name: | 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 231.2 |
| Molecular Formula: | C12 H9 N O4 |
| Smiles: | C=CCN1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9019 |
| logD: | -2.0757 |
| logSw: | -2.4433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.149 |
| InChI Key: | WVOXIWJWBBJKCZ-UHFFFAOYSA-N |