methyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Chemical Structure Depiction of
methyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
methyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | 1630-0365 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate |
| Molecular Weight: | 231.2 |
| Molecular Formula: | C12 H9 N O4 |
| Smiles: | COC(C(=C\c1ccc2c(c1)OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2683 |
| logD: | 2.2683 |
| logSw: | -2.7484 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.584 |
| InChI Key: | IUOSQCONBLAUEC-UHFFFAOYSA-N |