chempirical

Potassium 4-methylumbelliferone sulfate

C10H7KO6SCAS 15220-11-8294.32 g/mol

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Properties

Molecular formula
C10H7KO6S
Molar mass
294.32 g/mol
Exact mass
293.9600 Da
logP
0.90Crippen estimate
Polar surface area
93.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
15220-11-8
SMILES
Cc1cc(=O)oc2cc(OS([O-])(=O)=O)ccc12.[K+]
InChIKey
ACUFSQJGNBCODF-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O6S.K/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;/h2-5H,1H3,(H,12,13,14);

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Names and synonyms

5 names
  • 2H-1-Benzopyran-2-one, 4-methyl-7-(sulfooxy)-, potassium salt (1:1)
  • Coumarin, 7-hydroxy-4-methyl-, hydrogen sulfate potassium salt
  • 2H-1-Benzopyran-2-one, 4-methyl-7-(sulfooxy)-, potassium salt
  • Potassium 4-methylumbelliferyl sulfate
  • Potassium (4-methyl-2-oxo-2H-chromen-7-yl)sulfate

Work with Potassium 4-methylumbelliferone sulfate

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

7-Methoxy-4-methylcoumarin2555-28-459 % similar 4-Methylumbelliferyl acetate2747-05-956 % similar 7-Ethoxy-4-methylcoumarin87-05-855 % similar 4-Methylumbelliferyl phosphate3368-04-552 % similar 2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, sodium salt (1:2)22919-26-252 % similar 7-Amino-4-methylcoumarin26093-31-248 % similar 4-Methylumbelliferone90-33-548 % similar O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate299-45-647 % similar

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

Elsewhere

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