2D Chemical StructureDatabase ID 21942673
No renderable structure data available
SMILES
CC1=CC(=CC(=C1)C(=O)O)C#NStructure data verified · Database ID 21942673
Chemical Intermediate
3-cyano-5-methylbenzoic acid
CAS 78621-81-5Product ID 670952
| Intermediates | 3-cyano-5-methylbenzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 78621-81-5 |
| Database ID | 21942673 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-cyano-5-methylbenzoic acid
3-cyano-5-methylbenzoic acid (CAS 78621-81-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number78621-81-5
Database ID21942673
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 21942673
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=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 78621-81-53-cyano-5-methylbenzoic acid
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