4-Oxo-4-(pyridin-4-yl)butanenitrile
4-oxo-4-pyridin-4-ylbutanenitrile
Also Known As: 4-oxo-4-(pyridin-4-yl)butanenitrile|4-oxo-4-pyridin-4-ylbutanenitrile|4-oxo-4-(4-pyridinyl)butanenitrile|870-923-9
CAS: 49835-53-2
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06366 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.06366 |
| Monoisotopic Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 49835-53-2 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)CCC#N |
| InChIKey | UTISRGMYIPHHBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (11 patents)
Pharmaceutical Intermediates (7 patents)
Product Overview
4-Oxo-4-(pyridin-4-yl)butanenitrile (CAS 49835-53-2), with molecular formula C9H8N2O and molecular weight 160.06366 g/mol. IUPAC: 4-oxo-4-pyridin-4-ylbutanenitrile.
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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