Basic information
- CAS
106129-40-2- Standard SMILES
COc1ccc2c(c1)S(=O)(=O)CO2- InChIKey
JXDYVXAPPWCMQW-UHFFFAOYSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432991
Names & identifiers
- Preferred name
- 5-Methoxy-1,3lambda~6~-benzoxathiole-3,3(2H)-dione
- IUPAC
- 5-methoxy-1,3λ6-benzoxathiole 3,3-dioxide
Names & synonyms
106129-40-25-Methoxy-1,3lambda~6~-benzoxathiole-3,3(2H)-dioneDTXSID50546443
Database identifiers
- CAS
106129-40-2- PubChem CID
- 13675484
- DTXSID
DTXSID50546443
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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