MLS000081247
butyl (1S,5R,7R)-3-(2-ethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: (3aS,6R,7aR)-butyl 2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
CAS: 1164500-92-8
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.17834 g/mol |
| LogP | 2.8787 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.17834 |
| Monoisotopic Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 758.1329 |
Chemical Identifiers
| CAS Number | 1164500-92-8 |
|---|---|
| SMILES | CCCCOC(=O)C1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4=CC=CC=C4CC)O2 |
Product Overview
MLS000081247 (CAS 1164500-92-8), with molecular formula C21H25NO4 and molecular weight 355.17834 g/mol. IUPAC: butyl (1S,5R,7R)-3-(2-ethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
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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