2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, sodium salt (1:2)

C10H7Na2O6PCAS 22919-26-2300.11 g/mol

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OOOPO−O−ONa+Na+
Phosphate

Properties

Molecular formula
C10H7Na2O6P
Molar mass
300.11 g/mol
Exact mass
299.9776 Da
logP
0.81Crippen estimate
Polar surface area
97.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
22919-26-2
SMILES
Cc1cc(=O)oc2cc(OP([O-])([O-])=O)ccc12.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

2 names
  • Coumarin, 7-hydroxy-4-methyl-, dihydrogen phosphate disodium salt
  • 2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, disodium salt

Work with 2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, sodium salt (1:2)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylumbelliferyl phosphate3368-04-5Free acid

Similar compounds

7-Methoxy-4-methylcoumarin2555-28-459 % similar O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate299-45-658 % similar 7-Ethoxy-4-methylcoumarin87-05-855 % similar 4-Methylumbelliferyl acetate2747-05-953 % similar Potassium 4-methylumbelliferone sulfate15220-11-852 % similar 7-[(Sulfomethyl)amino]-4-methylcoumarin sodium salt29197-94-249 % similar 7-(Carboxymethoxy)-4-methylcoumarin64700-15-849 % similar 4-Methylcoumarin607-71-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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