Ethyl 5-methylisoxazole-3-carboxylate

C₇H₉NO₃CAS 3209-72-1155.15 g/mol

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Properties

Molecular formula: C₇H₉NO₃
Molar mass: 155.15 g/mol
Exact mass: 155.0582 Da
Boiling point: 130 °C (at 33 Torr)
logP: 1.16Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

3209-72-1

SMILES

CCOC(=O)c1cc(C)on1

InChIKey

OCCIGHIQVMLYBZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3

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Names and synonyms

3 names

3-Isoxazolecarboxylic acid, 5-methyl-, ethyl ester
5-Methylisoxazole-3-carboxylic acid ethyl ester
Ethyl 5-methylisoxazle-3-carboxylate

Work with Ethyl 5-methylisoxazole-3-carboxylate

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

Methyl 5-methyl-3-isoxazolecarboxylate19788-35-364 % similar Ethyl 5-phenylisoxazole-3-carboxylate7063-99-260 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-051 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-350 % similar Ethyl oxazole-4-carboxylate23012-14-850 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-450 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-850 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-449 % similar

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

Same formula

D-2-Furylalanine110772-46-8 3-Furan-2-ylalanine127682-08-0 Methacryloyloxyethyl isocyanate30674-80-7 Ammonium salicylate528-94-9

Elsewhere

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