2D Chemical StructureDatabase ID 9845635
No renderable structure data available
SMILES
C[C@H]1C(=O)C2=CC3=C(C=C2C[C@@H](S1)C(=O)O)OCO3Structure data verified · Database ID 9845635
Chemical Intermediate
(6R,8S)-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid
CAS 180185-65-3Product ID 271577
| Intermediates | (6R,8S)-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 180185-65-3 |
| Database ID | 9845635 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(6R,8S)-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid
(6R,8S)-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid (CAS 180185-65-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number180185-65-3
Database ID9845635
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 9845635
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C[C@H]1C(=O)C2=CC3=C(C=C2C[C@@H](S1)C(=O)O)OCO3
- 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 180185-65-3(6R,8S)-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid
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