Methyl 3-hydroxy-5-isoxazolecarboxylate

C₅H₅NO₄CAS 10068-07-2143.10 g/mol

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Properties

Molecular formula: C₅H₅NO₄
Molar mass: 143.10 g/mol
Exact mass: 143.0219 Da
logP: -0.25Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

10068-07-2

SMILES

COC(=O)C1=CC(=O)NO1

InChIKey

BBFWUUBQSXVHHZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)

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Names and synonyms

1 names

Methyl 3-hydroxyisoxazole-5-carboxylate

Work with Methyl 3-hydroxy-5-isoxazolecarboxylate

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

2,5-Dimethyl 2,5-furandicarboxylate4282-32-048 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-444 % similar Tetramethyl pyromellitate635-10-944 % similar Methyl 5-methyl-2-furancarboxylate2527-96-042 % similar Dimethyl phthalate131-11-341 % similar Dimethyl terephthalate120-61-639 % similar Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-339 % similar Dimethyl isophthalate1459-93-439 % similar

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

Elsewhere

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