chempirical

Chromotropic acid

C10H8O8S2CAS 148-25-4320.29 g/mol

Open in Covalent MOL file
OSOOHOHOHSOOHO
PhenolSulfonic acid

Properties

Molecular formula
C10H8O8S2
Molar mass
320.29 g/mol
Exact mass
319.9661 Da
logP
0.74Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2

Identifiers

CAS number
148-25-4
SMILES
O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1
InChIKey
HLVXFWDLRHCZEI-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

Weigh it out

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

Names and synonyms

5 names
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-
  • 4,5-Dihydroxy-2,7-naphthalenedisulfonic acid
  • C.I. 16655
  • Chromatropic acid
  • 1,8-Dihydroxynaphthalene-3,6-disulfonic acid

Work with Chromotropic 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

H Acid90-20-074 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-165 % similar 1-Naphthol-3,6-disulfonic acid578-85-863 % similar 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-357 % similar Azomethine H32266-60-755 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-554 % similar Gamma acid90-51-754 % similar 2,6-Naphthalenedisulfonic acid581-75-952 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia