2D Chemical StructureDatabase ID 117313723
No renderable structure data available
SMILES
COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CC#NStructure data verified · Database ID 117313723
Chemical Intermediate
methyl 2-(cyanomethyl)-3-nitrobenzoate
CAS 90771-65-6Product ID 569291
| Intermediates | methyl 2-(cyanomethyl)-3-nitrobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 90771-65-6 |
| Database ID | 117313723 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 2-(cyanomethyl)-3-nitrobenzoate
methyl 2-(cyanomethyl)-3-nitrobenzoate (CAS 90771-65-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number90771-65-6
Database ID117313723
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 117313723
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CC#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 90771-65-6methyl 2-(cyanomethyl)-3-nitrobenzoate
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