chempirical

L Acid

C10H8O4SCAS 117-59-9224.23 g/mol

Open in Covalent MOL file
OSOOHOH
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

Identifiers

CAS number
117-59-9
SMILES
O=S(=O)(O)c1cccc2c(O)cccc12
InChIKey
YLKCHWCYYNKADS-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/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
  • 1-Naphthalenesulfonic acid, 5-hydroxy-
  • 5-Hydroxy-1-naphthalenesulfonic acid
  • C.I. 14820
  • α-Naphtholsulfonic acid L
  • α-Naphthol-5-sulfonic acid
  • 1-Naphthol-5-sulfonic acid
  • 1-Hydroxy-5-naphthalenesulfonic acid
  • 1-Hydroxynaphthalene-5-sulphonic acid

Work with L 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

Armstrong'S acid81-04-977 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-269 % similar Naphthalene-1-sulfonic acid85-47-261 % similar Laurent acid84-89-961 % similar S Acid83-64-759 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-459 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-257 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-156 % similar

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

Same formula

1-Naphthol-8-sulfonic acid117-22-6 1-Naphthol-4-sulfonic acid84-87-7 2-Naphthol-6-sulfonic acid93-01-6

Elsewhere

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