2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester
hexyl (E)-2-cyano-3-ethoxyprop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester|hexyl (E)-2-cyano-3-ethoxyprop-2-enoate|Hexyl (E)-2-cyano-3-ethoxy-prop-2-enoate
CAS: 80677-67-4
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.13649 g/mol |
| LogP | 2.55388 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 225.13649 |
| Monoisotopic Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 265.92767 |
Chemical Identifiers
| CAS Number | 80677-67-4 |
|---|---|
| SMILES | CCCCCCOC(=O)/C(=C/OCC)/C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester (CAS 80677-67-4), with molecular formula C12H19NO3 and molecular weight 225.13649 g/mol. IUPAC: hexyl (E)-2-cyano-3-ethoxyprop-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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