8-Hydroxyquinoline-5-sulfonic acid monohydrate

C₉H₉NO₅SCAS 283158-18-9243.23 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₉H₉NO₅S
Molar mass: 243.23 g/mol
Exact mass: 243.0201 Da
logP: 0.36Crippen estimate
Polar surface area: 119.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

283158-18-9

SMILES

C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O

InChIKey

WUXYGIQVWKDVTJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO4S.H2O/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

8-Hydroxy-5-quinolinesulfonic acid monohydrate

Work with 8-Hydroxyquinoline-5-sulfonic acid monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

8-Hydroxyquinoline-5-sulfonic acid84-88-8Anhydrous

Similar compounds

1-Naphthol-4-sulfonic acid84-87-756 % similar Actinoquinol15301-40-354 % similar Ferron547-91-153 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-253 % similar 8-Hydroxyquinoline sulfate monohydrate207386-91-251 % similar 8-Quinolinesulfonic acid85-48-350 % similar L Acid117-59-949 % similar 5-Nitroso-8-hydroxyquinoline3565-26-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Hydroxyquinoline sulfate134-31-6

Elsewhere

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