2D Chemical StructureDatabase ID 12826148
No renderable structure data available
SMILES
CC(=O)C(CC1=CC=CC=C1)C#NStructure data verified · Database ID 12826148
Chemical Intermediate
2-benzyl-3-oxobutanenitrile
CAS 84831-51-6Product ID 531232
| Intermediates | 2-benzyl-3-oxobutanenitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 84831-51-6 |
| Database ID | 12826148 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-benzyl-3-oxobutanenitrile
2-benzyl-3-oxobutanenitrile (CAS 84831-51-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number84831-51-6
Database ID12826148
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 12826148
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(=O)C(CC1=CC=CC=C1)C#N
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 84831-51-62-benzyl-3-oxobutanenitrile
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