4-Methylumbelliferyl acetate

C₁₂H₁₀O₄CAS 2747-05-9218.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀O₄
Molar mass: 218.21 g/mol
Exact mass: 218.0579 Da
Melting point: 150 °C
logP: 2.03Crippen estimate
Polar surface area: 56.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 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

2747-05-9

SMILES

CC(=O)Oc1ccc2c(C)cc(=O)oc2c1

InChIKey

HXVZGASCDAGAPS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

16 names · show all

2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl-
Coumarin, 7-hydroxy-4-methyl-, acetate
Umbelliferone, 4-methyl-, acetate
7-(Acetyloxy)-4-methyl-2H-1-benzopyran-2-one
4-Methylumbelliferone acetate
7-Acetoxy-4-methylcoumarin
β-Methylumbelliferone acetate
7-Hydroxy-4-methylcoumarin acetate
4-Methyl-7-acetoxycoumarin
4-Methylumbelliferone 7-acetate
7-(Acetyloxy)-4-methylcoumarin
NSC 1059
NSC 31658
NSC 44763
NSC 688806
(4-Methyl-2-oxochromen-7-yl) acetate

Work with 4-Methylumbelliferyl acetate

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-Acetoxy-4-bromomethylcoumarin2747-04-866 % similar 7-Methoxy-4-methylcoumarin2555-28-464 % similar 7-Ethoxy-4-methylcoumarin87-05-860 % similar 4-Methylumbelliferyl heptanoate18319-92-160 % similar 7-(Carboxymethoxy)-4-methylcoumarin64700-15-859 % similar 4-Methylumbelliferyl phosphate3368-04-556 % similar Potassium 4-methylumbelliferone sulfate15220-11-856 % similar 4-Methylumbelliferyl oleate18323-58-554 % 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 8-Acetyl-7-hydroxy-4-methylcoumarin2555-29-5 5-(4-Methoxyphenyl)-2-furoic acid52938-99-5

Elsewhere

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