Basic information
- CAS
88-28-8- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1O- InChIKey
XDBZXAFUWZROOS-UHFFFAOYSA-N- Molecular formula
- C6H5NO9S2
- Average molar mass
- 299.2 g/mol
- Monoisotopic mass
- 298.94057308
Names & identifiers
- Preferred name
- 4-Hydroxy-5-nitrobenzene-1,3-disulfonic acid
- IUPAC
- 4-hydroxy-5-nitrobenzene-1,3-disulfonic acid
Names & synonyms
4-hydroxy-5-nitrobenzene-1,3-disulfonic acidDTXSID30125876088-28-84-Hydroxy-5-nitro-1,3-benzenedisulfonic acid
Database identifiers
- CAS
88-28-8- PubChem CID
- 424571
- DTXSID
DTXSID301258760- Nikkaji
- J2.730.422B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…