3-hydroxybenzene-1,2-disulfonoperoxoic acid

C6H6O9S2 — CID 174848734

IUPAC3-hydroxybenzene-1,2-disulfonoperoxoic acid
SMILESO=S(=O)(OO)c1cccc(O)c1S(=O)(=O)OO
InChIInChI=1S/C6H6O9S2/c7-4-2-1-3-5(16(10,11)14-8)6(4)17(12,13)15-9/h1-3,7-9H
InChIKeyKXFDMOFEIUTJSZ-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.25
Rot. Bonds4

About 3-hydroxybenzene-1,2-disulfonoperoxoic acid

3-hydroxybenzene-1,2-disulfonoperoxoic acid (PubChem CID 174848734) has the molecular formula C6H6O9S2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-hydroxybenzene-1,2-disulfonoperoxoic acid.

Molecular Properties

Compound Name3-hydroxybenzene-1,2-disulfonoperoxoic acid
PubChem CID174848734
Molecular FormulaC6H6O9S2
Molecular Weight286.24 g/mol
Exact Mass285.95
IUPAC Name3-hydroxybenzene-1,2-disulfonoperoxoic acid
SMILESO=S(=O)(OO)c1cccc(O)c1S(=O)(=O)OO
InChIInChI=1S/C6H6O9S2/c7-4-2-1-3-5(16(10,11)14-8)6(4)17(12,13)15-9/h1-3,7-9H
InChIKeyKXFDMOFEIUTJSZ-UHFFFAOYSA-N
XLogP-0.25
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 135260368
CID 135260368
2,3-dimethylbenzenesulfonoperoxoic acid
CID 175563588
benzene-1,2,3-triol;sulfuric acid
CID 121350878
2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid
CID 175120760
2-hydroxynaphthalene-1,5-disulfonic acid
CID 19366260
sodium 8-hydroxynaphthalene-1-sulfonate
CID 23672328
1,8-dihydroxynaphthalene-2,3-disulfonic acid
CID 22118049
2-hydroxybenzenesulfonic acid;N-methylmethanamine
CID 87510356
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549
3,6-dihydroxybenzene-1,2-disulfonic acid
CID 14848534
benzene-1,2,3-triol;tris(2-methylbenzenesulfonic acid)
CID 175309354

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzene-1,2-disulfonoperoxoic acid?
The IUPAC name of 3-hydroxybenzene-1,2-disulfonoperoxoic acid (CID 174848734) is 3-hydroxybenzene-1,2-disulfonoperoxoic acid.
What is the SMILES notation for 3-hydroxybenzene-1,2-disulfonoperoxoic acid?
The canonical SMILES for 3-hydroxybenzene-1,2-disulfonoperoxoic acid is O=S(=O)(OO)c1cccc(O)c1S(=O)(=O)OO.
What is the InChIKey of 3-hydroxybenzene-1,2-disulfonoperoxoic acid?
The InChIKey is KXFDMOFEIUTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O9S2/c7-4-2-1-3-5(16(10,11)14-8)6(4)17(12,13)15-9/h1-3,7-9H.
What are the key properties of 3-hydroxybenzene-1,2-disulfonoperoxoic acid?
3-hydroxybenzene-1,2-disulfonoperoxoic acid has a molecular weight of 286.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzene-1,2-disulfonoperoxoic acid is sourced from PubChem (CID 174848734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).