[1,1′-Biphenyl]-4,4′-disulfonic acid

C₁₂H₁₀O₆S₂CAS 5314-37-4314.33 g/mol

Open in Covalent MOL file

Alcohol Sulfone

Properties

Molecular formula: C₁₂H₁₀O₆S₂
Molar mass: 314.33 g/mol
Exact mass: 313.9919 Da
Melting point: 72.5 °C
logP: 1.85Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

5314-37-4

SMILES

O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1

InChIKey

ABSXMLODUTXQDJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(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

2 names

4,4′-Biphenyldisulfonic acid
NSC 6781

Work with [1,1′-Biphenyl]-4,4′-disulfonic 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

Elsewhere

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