1-Naphthol-8-sulfonic acid

C10H8O4SCAS 117-22-6224.23 g/mol

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OSOOHHO
PhenolSulfonic acid

Properties

Molecular formula
C10H8O4S
Molar mass
224.23 g/mol
Exact mass
224.0143 Da
logP
1.79Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
117-22-6
SMILES
O=S(=O)(O)c1cccc2cccc(O)c12
InChIKey
ZPLBZGGKAUXTRT-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)

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Names and synonyms

6 names
  • 1-Naphthalenesulfonic acid, 8-hydroxy-
  • 8-Hydroxy-1-naphthalenesulfonic acid
  • Naphtholmonosulfonic acid S
  • α-Naphthol-8-sulfonic acid
  • 1-Hydroxynaphthalene-8-sulfonic acid
  • NSC 8626

Work with 1-Naphthol-8-sulfonic acid

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

Similar compounds

8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-169 % similar Peri acid82-75-762 % similar Naphthalene-1-sulfonic acid85-47-255 % similar 8-Anilinonaphthalene-1-sulfonic acid82-76-854 % similar S Acid83-64-754 % similar 1,8-Dihydroxynaphthalene569-42-654 % similar Armstrong's acid81-04-952 % similar 8-Amino-1,6-naphthalenedisulfonic acid129-91-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L Acid117-59-9 1-Naphthol-4-sulfonic acid84-87-7 2-Naphthol-6-sulfonic acid93-01-6

Elsewhere

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