4-Hydroxy-6-methylcoumarin

C₁₀H₈O₃CAS 13252-83-0176.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈O₃
Molar mass: 176.17 g/mol
Exact mass: 176.0473 Da
logP: 1.81Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

13252-83-0

SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2O

InChIKey

WIRGBZBGYNIZIB-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3

Weigh it out

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

Work with 4-Hydroxy-6-methylcoumarin

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

4-Hydroxycoumarin1076-38-660 % similar 6-Methylcoumarin92-48-851 % similar 4-Methylesculetin529-84-049 % similar 7-Methylcoumarin2445-83-249 % similar 5,7-Dihydroxy-4-methylcoumarin2107-76-842 % similar 4-Methylcatechol452-86-841 % similar Aesculetin305-01-141 % similar 7,8-Dihydroxy-4-methylcoumarin2107-77-941 % similar

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

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Oxo-1-indancarboxylic acid29427-69-8 Herniarin531-59-9 4-Oxo-4-phenyl-2-butenoic acid583-06-2 4-Methylumbelliferone90-33-5

Elsewhere

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