Oct-3-ynyl 3,5-dinitrobenzoate
oct-3-ynyl 3,5-dinitrobenzoate
Also Known As: oct-3-ynyl 3,5-dinitrobenzoate|Oct-3-yn-1-yl 3,5-dinitrobenzoate
CAS: 5251-84-3
| Molecular Formula | C15H16N2O6 |
|---|---|
| Molecular Weight | 320.10083 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.10083 |
| Monoisotopic Mass | 320.10083 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 5251-84-3 |
|---|---|
| SMILES | CCCCC#CCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JPYVTILPUUSASE-UHFFFAOYSA-N |
Product Overview
Oct-3-ynyl 3,5-dinitrobenzoate (CAS 5251-84-3), with molecular formula C15H16N2O6 and molecular weight 320.10083 g/mol. IUPAC: oct-3-ynyl 3,5-dinitrobenzoate.
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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