1-Naphthalenesulfonic acid, 3-diazo-3,4-dihydro-4-oxo-, sodium salt (1:1)

C₁₀H₅N₂NaO₄SCAS 64173-96-2272.21 g/mol

Open in Covalent MOL file

Alkene Imine Ketone Sulfonic acid

Properties

Molecular formula: C₁₀H₅N₂NaO₄S
Molar mass: 272.21 g/mol
Exact mass: 271.9868 Da
logP: 0.40Crippen estimate
Polar surface area: 107.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

64173-96-2

SMILES

[N-]=[N+]=C1C=C(S([O-])(=O)=O)c2ccccc2C1=O.[Na+]

InChIKey

VOIVYSZVXADINH-UHFFFAOYSA-N

InChI

InChI=1S/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H,14,15,16);

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

Names and synonyms

1 names

1-Naphthalenesulfonic acid, 3-diazo-3,4-dihydro-4-oxo-, sodium salt

Work with 1-Naphthalenesulfonic acid, 3-diazo-3,4-dihydro-4-oxo-, sodium salt (1:1)

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

Same formula

Sodium 2,1-diazonaphthol-5-sulfonate2657-00-3

Elsewhere

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