Basic information
- CAS
744954-43-6- Standard SMILES
O=S(=O)(O)C(O)c1cccc(O)c1- InChIKey
RHJYDDKPUWGIFY-UHFFFAOYSA-N- Molecular formula
- C7H8O5S
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 204.00924453
Names & identifiers
- Preferred name
- Hydroxy(3-hydroxyphenyl)methanesulfonic acid
- IUPAC
- hydroxy-(3-hydroxyphenyl)methanesulfonic acid
Names & synonyms
DTXSID901273653744954-43-6Hydroxy(3-hydroxyphenyl)methanesulfonic acidI+/-,3-Dihydroxybenzenemethanesulfonic acid
Database identifiers
- CAS
744954-43-6- PubChem CID
- 11601032
- DTXSID
DTXSID901273653- EC Number
- 616-098-9
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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