methyl 3-{3-[(acetyloxy)methyl]-2,4,6-trimethylphenyl}-2-cyanoprop-2-enoate
Chemical Structure Depiction of
methyl 3-{3-[(acetyloxy)methyl]-2,4,6-trimethylphenyl}-2-cyanoprop-2-enoate
methyl 3-{3-[(acetyloxy)methyl]-2,4,6-trimethylphenyl}-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | 8006-9431 |
| Compound Name: | methyl 3-{3-[(acetyloxy)methyl]-2,4,6-trimethylphenyl}-2-cyanoprop-2-enoate |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | CC(=O)OCc1c(C)cc(C)c(\C=C(/C#N)C(=O)OC)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.5654 |
| logD: | 3.5654 |
| logSw: | -3.7135 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.699 |
| InChI Key: | AHANFGDLOPXGEJ-UHFFFAOYSA-N |