2,2',3,3'-tetrahydro[6,6'-bi-1,4-benzodioxine]-7-carbonitrile
Chemical Structure Depiction of
2,2',3,3'-tetrahydro[6,6'-bi-1,4-benzodioxine]-7-carbonitrile
2,2',3,3'-tetrahydro[6,6'-bi-1,4-benzodioxine]-7-carbonitrile
Compound characteristics
| Compound ID: | 8020-2539 |
| Compound Name: | 2,2',3,3'-tetrahydro[6,6'-bi-1,4-benzodioxine]-7-carbonitrile |
| Molecular Weight: | 295.29 |
| Molecular Formula: | C17 H13 N O4 |
| Smiles: | C1COc2cc(ccc2O1)c1cc2c(cc1C#N)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.8167 |
| logD: | 1.8167 |
| logSw: | -2.3598 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.669 |
| InChI Key: | CBRXXVMKNHCKMV-UHFFFAOYSA-N |