2-(3-ethynylphenyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-ethynylphenyl)-1H-isoindole-1,3(2H)-dione
2-(3-ethynylphenyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2036-0719 |
| Compound Name: | 2-(3-ethynylphenyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C16 H9 N O2 |
| Smiles: | C#Cc1cccc(c1)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.842 |
| logD: | 2.842 |
| logSw: | -3.4982 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.8798 |
| InChI Key: | NKDPGIRYKDXFBX-UHFFFAOYSA-N |