chempirical

8-Hydroxy-1,6-naphthalenedisulfonic acid

C10H8O7S2CAS 117-43-1304.29 g/mol

Open in Covalent MOL file
OSOOHOHSOOOH
PhenolSulfonic acid

Properties

Molecular formula
C10H8O7S2
Molar mass
304.29 g/mol
Exact mass
303.9711 Da
logP
1.04Crippen estimate
Polar surface area
129.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Identifiers

CAS number
117-43-1
SMILES
O=S(=O)(O)c1cc(O)c2c(S(=O)(=O)O)cccc2c1
InChIKey
XQAFHGXXHIZSGZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O7S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)

Weigh it out

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

Names and synonyms

8 names
  • 1,6-Naphthalenedisulfonic acid, 8-hydroxy-
  • Andresen's acid
  • Disulfo acid E
  • 1-Naphthol-3,8-disulfonic acid
  • 3,8-Disulfo-1-naphthol
  • 1-Hydroxy-3,8-naphthalenedisulfonic acid
  • ε-Acid
  • NSC 8628

Work with 8-Hydroxy-1,6-naphthalenedisulfonic 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

1-Naphthol-8-sulfonic acid117-22-669 % similar 8-Amino-1,6-naphthalenedisulfonic acid129-91-967 % similar Chromotropic acid148-25-465 % similar H Acid90-20-055 % similar 4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid130-23-452 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-450 % similar Peri acid82-75-750 % similar Azomethine H32266-60-749 % similar

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

Same formula

1-Naphthol-3,6-disulfonic acid578-85-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook