3-(heptyloxy)-6-hydroxybenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
3-(heptyloxy)-6-hydroxybenzene-1,2-dicarbonitrile
3-(heptyloxy)-6-hydroxybenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 0054-0059 |
| Compound Name: | 3-(heptyloxy)-6-hydroxybenzene-1,2-dicarbonitrile |
| Molecular Weight: | 258.32 |
| Molecular Formula: | C15 H18 N2 O2 |
| Smiles: | CCCCCCCOc1ccc(c(C#N)c1C#N)O |
| Stereo: | ACHIRAL |
| logP: | 4.5491 |
| logD: | 2.4983 |
| logSw: | -4.2973 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.403 |
| InChI Key: | GGRHBZPQLRFEOU-UHFFFAOYSA-N |