chempirical

Sodium 7-hydroxy-2-naphthalenesulfonate

C10H7NaO4SCAS 135-55-7246.21 g/mol

Open in Covalent MOL file
O−SOOOHNa+
PhenolSulfonic acid

Properties

Molecular formula
C10H7NaO4S
Molar mass
246.21 g/mol
Exact mass
245.9963 Da
logP
1.41Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
135-55-7
SMILES
[O-]S(=O)(=O)c1ccc2ccc(O)cc2c1.[Na+]
InChIKey
ORDKAWZEDYAZMM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6,11H,(H,12,13,14);

Weigh it out

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

Names and synonyms

8 names
  • 2-Naphthalenesulfonic acid, 7-hydroxy-, sodium salt (1:1)
  • 2-Naphthalenesulfonic acid, 7-hydroxy-, monosodium salt
  • 2-Naphthol-7-sulfonic acid, sodium salt
  • 2-Naphthol-7-sodium sulfonate
  • Sodium 2-naphthol-7-sulfonate
  • Sodium 2-hydroxynaphthalene-7-sulfonate
  • 7-Sulfo-2-naphthol sodium salt
  • 7-Hydroxynaphthalene-2-sulfonic acid sodium salt

Work with Sodium 7-hydroxy-2-naphthalenesulfonate

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

Disodium 2,7-naphthalenedisulfonate1655-35-277 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-976 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-569 % similar Disodium 2,6-naphthalenedisulfonate1655-45-468 % similar Sodium 4-hydroxybenzenesulfonate825-90-166 % similar Sodium 2-naphthalenesulfonate532-02-565 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-564 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-362 % similar

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

Same formula

Sodium 6-hydroxy-2-naphthalenesulfonate135-76-2 Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-2 Sodium 1-naphthol-4-sulfonate6099-57-6

Elsewhere

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