3-Oxo-4-phenylbutanenitrile
3-oxo-4-phenylbutanenitrile
Also Known As: 3-Oxo-4-phenylbutanenitrile|3-Oxo-4-phenylbutyronitrile|Phenylacetoacetonitrile|phenyl acetoacetonitrile|Benzenebutanenitrile, beta-oxo-|3-Oxo-4-phenyl butyronitrile|Benzenebutanenitrile, b-oxo-|Benzenebutanenitrile, ?-oxo-|3-oxo-4-phenyl-butanenitrile|3-oxo-4-phenyl-butyronitrile|Benzenebutanenitrile, |A-oxo-|3-Oxo-4-phenylbutanenitrile #|2-Fluoro-3-iodophenylboronicacid|J1.822.037G
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.06842 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.06842 |
| Monoisotopic Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 19212-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)CC#N |
| InChIKey | MGPKTKXUWSVAMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-4-phenylbutanenitrile (CAS 19212-27-2), with molecular formula C10H9NO and molecular weight 159.06842 g/mol. IUPAC: 3-oxo-4-phenylbutanenitrile.
3-Oxo-4-phenylbutanenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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