3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile
3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile
Also Known As: 3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile|3-oxo-3-(5-oxo-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)propanenitrile
CAS: 904847-72-9
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.06947 g/mol |
| LogP | 1.06328 |
| Topological Polar Surface Area | 73.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.06947 |
| Monoisotopic Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 528.43176 |
Chemical Identifiers
| CAS Number | 904847-72-9 |
|---|---|
| SMILES | C1C(=NN(C1=O)C(=O)CC#N)C2=CC=CC=C2 |
Product Overview
3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile (CAS 904847-72-9), with molecular formula C12H9N3O2 and molecular weight 227.06947 g/mol. IUPAC: 3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile.
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-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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