2D Chemical StructureDatabase ID 57441035
No renderable structure data available
SMILES
CC(C)(C#N)C1=CC=CC(=C1)C(=O)OCStructure data verified · Database ID 57441035
Chemical Intermediate
methyl 3-(2-cyanopropan-2-yl)benzoate
CAS 872091-85-5Product ID 700205
| Intermediates | methyl 3-(2-cyanopropan-2-yl)benzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 872091-85-5 |
| Database ID | 57441035 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-(2-cyanopropan-2-yl)benzoate
methyl 3-(2-cyanopropan-2-yl)benzoate (CAS 872091-85-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number872091-85-5
Database ID57441035
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 57441035
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C)(C#N)C1=CC=CC(=C1)C(=O)OC
- 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 872091-85-5methyl 3-(2-cyanopropan-2-yl)benzoate
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