Basic information
- CAS
106129-30-0- Standard SMILES
O=S1(=O)COc2ccc(O)cc21- InChIKey
SSRGTYQCURDHIT-UHFFFAOYSA-N- Molecular formula
- C7H6O4S
- Average molar mass
- 186.19 g/mol
- Monoisotopic mass
- 185.99867984
Names & identifiers
- Preferred name
- 5-Hydroxy-1,3lambda~6~-benzoxathiole-3,3(2H)-dione
- IUPAC
- 3,3-dioxo-1,3λ6-benzoxathiol-5-ol
Names & synonyms
106129-30-05-Hydroxy-1,3lambda~6~-benzoxathiole-3,3(2H)-dioneSCHEMBL6563194DTXSID90546442
Database identifiers
- CAS
106129-30-0- PubChem CID
- 13675474
- DTXSID
DTXSID90546442
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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