2D Chemical StructureDatabase ID 5997822
No renderable structure data available
SMILES
CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC)/C#NStructure data verified · Database ID 5997822
Chemical Intermediate
methyl 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate
CAS 329780-76-9Product ID 383414
| Intermediates | methyl 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 329780-76-9 |
| Database ID | 5997822 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate
methyl 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate (CAS 329780-76-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number329780-76-9
Database ID5997822
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 5997822
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC)/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 329780-76-9methyl 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate
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