4-Methylumbelliferyl phosphate

C10H9O6PCAS 3368-04-5256.15 g/mol

Open in Covalent MOL file
OOOPOHOOH
Phosphate

Properties

Molecular formula
C10H9O6P
Molar mass
256.15 g/mol
Exact mass
256.0137 Da
logP
1.57Crippen estimate
Polar surface area
97.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3368-04-5
SMILES
Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12
InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N
InChI
InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)

Weigh it out

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

Names and synonyms

8 names
  • 2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-
  • Coumarin, 7-hydroxy-4-methyl-, dihydrogen phosphate
  • 4-Methyl-7-(phosphonooxy)-2H-1-benzopyran-2-one
  • 4-Methylumbelliferone phosphate
  • 4-Methylumbelliferyl dihydrogen phosphate
  • 4-Methylcoumarin-7-yl dihydrogen phosphate
  • 4-Methylumbelliferyl orthophosphate
  • (4-Methyl-2-oxochromen-7-yl) dihydrogen phosphate

Work with 4-Methylumbelliferyl phosphate

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.

2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, sodium salt (1:2)22919-26-2Salt

Similar compounds

7-Methoxy-4-methylcoumarin2555-28-463 % similar O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate299-45-659 % similar 7-Ethoxy-4-methylcoumarin87-05-859 % similar 4-Methylumbelliferyl acetate2747-05-956 % similar 7-(Carboxymethoxy)-4-methylcoumarin64700-15-855 % similar 4-Methylumbelliferone90-33-555 % similar Potassium 4-methylumbelliferone sulfate15220-11-852 % similar 7-Amino-4-methylcoumarin26093-31-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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