8-Acetyl-7-hydroxy-4-methylcoumarin

C₁₂H₁₀O₄CAS 2555-29-5218.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀O₄
Molar mass: 218.21 g/mol
Exact mass: 218.0579 Da
Melting point: 168 °C
logP: 2.01Crippen estimate
Polar surface area: 67.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

2555-29-5

SMILES

CC(=O)c1c(O)ccc2c(C)cc(=O)oc12

InChIKey

WZOMQVFUPMLOGT-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3

Weigh it out

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

Names and synonyms

10 names

2H-1-Benzopyran-2-one, 8-acetyl-7-hydroxy-4-methyl-
Coumarin, 8-acetyl-7-hydroxy-4-methyl-
Umbelliferone, 8-acetyl-4-methyl-
8-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
4-Methyl-7-hydroxy-8-acetylcoumarin
7-Hydroxy-8-acetyl-4-methylcoumarin
4-Methyl-7-hydroxy-8-acetocoumarin
8-Acetyl-4-methylumbelliferone
NSC 19027
8-Acetyl-4-methyl-7-hydroxycoumarin

Work with 8-Acetyl-7-hydroxy-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

7,8-Dihydroxy-4-methylcoumarin2107-77-963 % similar Calcein blue54375-47-254 % similar 4-Methylesculetin529-84-050 % similar 4-Methylumbelliferone90-33-545 % similar 4′-Hydroxy-3′-methylacetophenone876-02-844 % similar 2',6'-Dihydroxyacetophenone699-83-243 % similar 6-Hydroxy-4-methylcoumarin2373-31-142 % similar 3,5-Dihydroxy-4-acetyltoluene1634-34-041 % similar

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

Same formula

Quinhydrone106-34-3 p-Phenylenediacrylic acid16323-43-6 3-Carbethoxycoumarin1846-76-0 4-Methylumbelliferyl acetate2747-05-9 5-(4-Methoxyphenyl)-2-furoic acid52938-99-5

Elsewhere

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