5,7-Dihydroxy-4-methylcoumarin

C₁₀H₈O₄CAS 2107-76-8192.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈O₄
Molar mass: 192.17 g/mol
Exact mass: 192.0423 Da
Melting point: 282–284 °C
Water solubility: slightly soluble
logP: 1.51Crippen estimate
Polar surface area: 70.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H335 May cause respiratory irritation93.6% of notifiers

Aggregated from 47 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

2107-76-8

SMILES

Cc1cc(=O)oc2cc(O)cc(O)c12

InChIKey

QNVWGEJMXOQQPM-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3

Weigh it out

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

Names and synonyms

7 names

2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-
Coumarin, 5,7-dihydroxy-4-methyl-
5,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one
4-Methyl-5,7-dihydroxycoumarin
NSC 5302
5,7-Dihydroxy-4-methyl-chromen-2-one
5,7-Dihydroxy-4-methyl-2H-chromen-2-one

Work with 5,7-Dihydroxy-4-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-Methylumbelliferone90-33-556 % similar 4-Methylesculetin529-84-055 % similar 6-Hydroxy-4-methylcoumarin2373-31-153 % similar 5,7-Dihydroxycoumarin2732-18-551 % similar Demethylbellidifolin2980-32-747 % similar Triacetic acid lactone675-10-546 % similar Apigenin520-36-544 % similar Acacetin480-44-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 7,8-Dihydroxy-4-methylcoumarin2107-77-9 2-Ethenylbenzene-1,4-dicarboxylic acid216431-29-7 Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-5 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2

Elsewhere

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