2D Chemical StructureDatabase ID 13854263
No renderable structure data available
SMILES
C1=CC(=CC(=C1)C#N)CCC=OStructure data verified · Database ID 13854263
Chemical Intermediate
3-(3-oxopropyl)benzonitrile
CAS 111376-39-7Product ID 43940
| Intermediates | 3-(3-oxopropyl)benzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 111376-39-7 |
| Database ID | 13854263 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(3-oxopropyl)benzonitrile
3-(3-oxopropyl)benzonitrile (CAS 111376-39-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number111376-39-7
Database ID13854263
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 13854263
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC(=C1)C#N)CCC=O
- 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 111376-39-73-(3-oxopropyl)benzonitrile
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