2D Chemical StructureDatabase ID 11096532
No renderable structure data available
SMILES
CCCCC[C@@H](C=O)OC(=O)C1=CC=CC=C1Structure data verified · Database ID 11096532
Chemical Intermediate
[(2S)-1-oxoheptan-2-yl] benzoate
CAS 109420-98-6Product ID 38208
| Intermediates | [(2S)-1-oxoheptan-2-yl] benzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 109420-98-6 |
| Database ID | 11096532 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
[(2S)-1-oxoheptan-2-yl] benzoate
[(2S)-1-oxoheptan-2-yl] benzoate (CAS 109420-98-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number109420-98-6
Database ID11096532
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 11096532
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CCCCC[C@@H](C=O)OC(=O)C1=CC=CC=C1
- 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 109420-98-6[(2S)-1-oxoheptan-2-yl] benzoate
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