5-Amino-4-hydroxybenzene-1,3-disulphonic acid
Basic information
- CAS
120-98-9- Standard SMILES
Nc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1O- InChIKey
HTYRTGGIOAMLRR-UHFFFAOYSA-N- Molecular formula
- C6H7NO7S2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 268.96639391
Names & identifiers
- Preferred name
- 5-Amino-4-hydroxybenzene-1,3-disulphonic acid
- IUPAC
- 5-amino-4-hydroxybenzene-1,3-disulfonic acid
- English name
- 5-Amino-4-hydroxybenzene-1,3-disulphonic acid
- Molecular formula
- C6H7NO7S2
- Molecular weight
- 269.25
Names & synonyms
120-98-95-amino-4-hydroxybenzene-1,3-disulfonic acid5-Amino-4-hydroxybenzene-1,3-disulphonic acid1,3-Benzenedisulfonic acid, 5-amino-4-hydroxy-2-Aminophenol-4,6-disulfonic acidC6H7NO7S2EINECS 204-441-1MFCD000359115-amino-4-hydroxy-benzene-1,3-disulfonic acidSCHEMBL5830318DTXSID30152647HTYRTGGIOAMLRR-UHFFFAOYSA-N
Show more names
1,3-BenzenedisulfonicsulfanylidenemagnesiumO-AMINOPHENOL-4,6-DISULFONIC ACID6-Amino-1-phenol-2,4-disulfonic acid5-Amino-4-hydroxy-m-benzenedisulfonic acid5-Amino-4-hydroxybenzene-1,3-disulfonicaci5-AMINO-4-HYDROXY-1,3-BENZENEDISULFONIC ACID
AKOS015889795AC-22499AS-672165-amino-4-hydroxybenzene-1,3-disulfonicacidNS000239411-hydroxy-2-amino-benzene-4,6-disulfonic acidD95846
Database identifiers
- CAS
120-98-9- PubChem CID
- 67127
- DTXSID
DTXSID30152647- EC Number
- 204-441-1
- Nikkaji
- J291.291K
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Density
- 1.984 · 1.984±0.06 g/cm3(Predicted)
- pka
- -1.71 · -1.71±0.50(Predicted)
- CAS DataBase Reference
- 120 · 120-98-9(CAS DataBase Reference)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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