ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Chemical Structure Depiction of
ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | 1630-0335 |
| Compound Name: | ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate |
| Molecular Weight: | 245.23 |
| Molecular Formula: | C13 H11 N O4 |
| Smiles: | CCOC(C(=C/c1ccc2c(c1)OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6561 |
| logD: | 2.6561 |
| logSw: | -2.9056 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.164 |
| InChI Key: | RYGTWDAUOUMNRA-UHFFFAOYSA-N |