4-Formylbenzenesulfonic acid

C₇H₆O₄SCAS 5363-54-2186.18 g/mol

Open in Covalent MOL file

Aldehyde Sulfonic acid

Properties

Molecular formula: C₇H₆O₄S
Molar mass: 186.18 g/mol
Exact mass: 185.9987 Da
Melting point: 121.5–123 °C
logP: 0.75Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

5363-54-2

SMILES

O=Cc1ccc(S(=O)(=O)O)cc1

InChIKey

XSAOGXMGZVFIIE-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-5H,(H,9,10,11)

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonic acid, 4-formyl-
Benzenesulfonic acid, p-formyl-
Benzaldehyde-4-sulfonic acid
p-Formylbenzenesulfonic acid

Work with 4-Formylbenzenesulfonic 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

Poly(4-styrenesulfonic acid)28210-41-562 % similar [1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-458 % similar 4-Formyl-1,3-benzenedisulfonic acid88-39-155 % similar 4-Hydroxybenzenesulfonic acid98-67-954 % similar Benzenesulfonic acid98-11-352 % similar P-Toluenesulfonic acid104-15-452 % similar Sulfanilic acid121-57-352 % similar 4-Iodobenzenesulphonic acid13035-63-752 % similar

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

Same formula

3-Thiophenemalonic acid21080-92-2

Elsewhere

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