chempirical

4-Formyl-1,3-benzenedisulfonic acid

C7H6O7S2CAS 88-39-1266.24 g/mol

Open in Covalent MOL file
OSOOOHSOOOH
AldehydeSulfonic acid

Properties

Molecular formula
C7H6O7S2
Molar mass
266.24 g/mol
Exact mass
265.9555 Da
logP
-0.01Crippen estimate
Polar surface area
125.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
88-39-1
SMILES
O=Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O
InChIKey
PQYVGRGYAZDHFY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O7S2/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Benzenedisulfonic acid, 4-formyl-
  • m-Benzenedisulfonic acid, 4-formyl-
  • 2,4-Disulfobenzaldehyde
  • Benzaldehyde-2,4-disulfonic acid
  • 4-Formyl-1,3-disulfobenzene
  • 4-Formyl benzene-1,3-disodium disulfonate

Work with 4-Formyl-1,3-benzenedisulfonic 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

4-Formylbenzenesulfonic acid5363-54-255 % similar Aniline-2,4-disulfonic acid137-51-954 % similar 2,6-Naphthalenedisulfonic acid581-75-950 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-250 % similar Disodium 4-formyl-1,3-benzenedisulfonate33513-44-949 % similar 2,7-Naphthalenedisulfonic acid92-41-148 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-847 % similar 4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-746 % similar

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

Elsewhere

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