Basic information
- Standard SMILES
Cn1ccc(S(=O)(=O)[O-])c1.O.[Na+]- InChIKey
KWBOQUSAJHJYOS-UHFFFAOYSA-M- Molecular formula
- C5H8NNaO4S
- Average molar mass
- 201.18 g/mol
Names & identifiers
- Preferred name
- Sodium 1-methylpyrrole-3-sulfonate Monohydrate
- IUPAC
- sodium;1-methylpyrrole-3-sulfonate;hydrate
Names & synonyms
SCHEMBL5851690KWBOQUSAJHJYOS-UHFFFAOYSA-MSodium 1-methylpyrrole-3-sulfonate Monohydrate
Database identifiers
- PubChem CID
- 23709372
Properties
Computed structural properties
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Related reactions
3 records
Compound notes
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