2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0279 |
| Compound Name: | 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 243.26 |
| Molecular Formula: | C14 H13 N O3 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1cccc(c1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7555 |
| logD: | 1.7236 |
| logSw: | -1.9903 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.689 |
| InChI Key: | HJTWRIKWSRJBGH-UHFFFAOYSA-N |