Hydroxy-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid
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Basic information
- Standard SMILES
COc1cc(C(O)S(=O)(=O)O)ccc1O- InChIKey
MLWXFWSJDSXGBE-UHFFFAOYSA-N- Molecular formula
- C8H10O6S
- Average molar mass
- 234.23 g/mol
- Monoisotopic mass
- 234.01980921
Names & identifiers
- Preferred name
- Hydroxy-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid
- IUPAC
- hydroxy-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid
Names & synonyms
NSC120719SCHEMBL15981199NSC-120719
Database identifiers
- PubChem CID
- 86880
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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