2-oxo-2H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-oxo-2H-1-benzopyran-3-carbonitrile
2-oxo-2H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 1151-0231 |
| Compound Name: | 2-oxo-2H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 171.15 |
| Molecular Formula: | C10 H5 N O2 |
| Smiles: | C1=C(C#N)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.7033 |
| logD: | 1.7033 |
| logSw: | -1.8512 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.216 |
| InChI Key: | QKJALQPLNMEDAV-UHFFFAOYSA-N |