Aminohydroxybenzenesulfonic acid
Basic information
- CAS
31094-40-3- Standard SMILES
Nc1cccc(S(=O)(=O)O)c1O- InChIKey
UARPFAZLXITZKP-UHFFFAOYSA-N- Molecular formula
- C6H7NO4S
- Average molar mass
- 189.19 g/mol
- Monoisotopic mass
- 189.00957888
Names & identifiers
- Preferred name
- Aminohydroxybenzenesulfonic acid
- IUPAC
- 3-amino-2-hydroxybenzenesulfonic acid
Names & synonyms
3-amino-2-hydroxybenzenesulfonic acid80-79-531094-40-3Aminohydroxybenzenesulfonic acid3-Amino-2-hydroxybenzene-1-sulfonic acidSCHEMBL3030725amino-hydroxy-benzenesulfonic acidDTXSID90868671
Database identifiers
- CAS
31094-40-3、80-79-5- PubChem CID
- 163344
- DTXSID
DTXSID90868671- Nikkaji
- J166.636C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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