2D Chemical StructureDatabase ID 4415401
No renderable structure data available
SMILES
CC(C)(C)C(=O)C(=CC1=CC2=C(C=C1)OCO2)C#NStructure data verified · Database ID 4415401
Chemical Intermediate
2-(1,3-benzodioxol-5-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile
CAS 391649-79-9Product ID 410547
| Intermediates | 2-(1,3-benzodioxol-5-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 391649-79-9 |
| Database ID | 4415401 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-(1,3-benzodioxol-5-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile
2-(1,3-benzodioxol-5-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 391649-79-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number391649-79-9
Database ID4415401
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 4415401
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(=CC1=CC2=C(C=C1)OCO2)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 391649-79-92-(1,3-benzodioxol-5-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile
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