![3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium structure](/static/products/4338/4338-00-5.webp)
3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one
Also Known As: NCIOpen2_004638|3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one|3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
CAS: 4338-00-5
| Molecular Formula | C11H11N2O4+ |
|---|---|
| Molecular Weight | 235.07188 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07188 |
| Monoisotopic Mass | 235.07188 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 4338-00-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC[N+]3=CC(=O)ON3 |
| InChIKey | XFHVEGFWKHOFSF-UHFFFAOYSA-O |
Product Overview
3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium (CAS 4338-00-5), with molecular formula C11H11N2O4+ and molecular weight 235.07188 g/mol. IUPAC: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one.
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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3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium is a custom synthesis product. We offer services from milligram to kilogram scale.
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