4-(2-Nitrophenyl)-3-buten-2-one
4-(2-nitrophenyl)but-3-en-2-one
Also Known As: o-nitrobenzalacetone|4-(2-nitrophenyl)-3-buten-2-one|4-(2-Nitrophenyl)but-3-en-2-one|(E)-4-(2-nitrophenyl)but-3-en-2-one
CAS: 20766-40-9
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.05824 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Monoisotopic Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 20766-40-9 |
|---|---|
| SMILES | CC(=O)C=CC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | FRPAGLRAZLFTGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (3 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
4-(2-Nitrophenyl)-3-buten-2-one (CAS 20766-40-9), with molecular formula C10H9NO3 and molecular weight 191.05824 g/mol. IUPAC: 4-(2-nitrophenyl)but-3-en-2-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.
View MSDS →
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