3-Heptenoic acid, ethyl ester
ethyl hept-3-enoate
Also Known As: ethyl 3-heptenoate|3-Heptenoic acid, ethyl ester|ETHYL HEPT-3-ENOATE
CAS: 21994-75-2
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.11504 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Monoisotopic Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 21994-75-2 |
|---|---|
| SMILES | CCCC=CCC(=O)OCC |
| InChIKey | MOTXKEQQXJIDHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (2 patents)
Product Overview
3-Heptenoic acid, ethyl ester (CAS 21994-75-2), with molecular formula C9H16O2 and molecular weight 156.11504 g/mol. IUPAC: ethyl hept-3-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.
View MSDS →
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