2D Chemical StructureDatabase ID 24729629
No renderable structure data available
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#NStructure data verified · Database ID 24729629
Chemical Intermediate
3-tert-butyl-5-cyanobenzoic acid
CAS 942077-12-5Product ID 588478
| Intermediates | 3-tert-butyl-5-cyanobenzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 942077-12-5 |
| Database ID | 24729629 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-tert-butyl-5-cyanobenzoic acid
3-tert-butyl-5-cyanobenzoic acid (CAS 942077-12-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number942077-12-5
Database ID24729629
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 24729629
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C)(C)C1=CC(=CC(=C1)C(=O)O)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 942077-12-53-tert-butyl-5-cyanobenzoic acid
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