3-Methyl-1-nitrobut-2-ene
3-methyl-1-nitrobut-2-ene
Also Known As: 3-Methyl-1-nitrobut-2-ene|1-Nitro-3-methyl-2-butene|2-Butene, 3-methyl-1-nitro-|3-Methyl-1-nitro-2-butene #|J2.553.456E
CAS: 1809-65-0
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06333 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.06333 |
| Monoisotopic Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 1809-65-0 |
|---|---|
| SMILES | CC(=CC[N+](=O)[O-])C |
| InChIKey | SQASFLRNNKURAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Lubricants & Additives (1 patents)
Product Overview
3-Methyl-1-nitrobut-2-ene (CAS 1809-65-0), with molecular formula C5H9NO2 and molecular weight 115.06333 g/mol. IUPAC: 3-methyl-1-nitrobut-2-ene.
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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