Methyl 3-hydroxy-5-isoxazolecarboxylate

C5H5NO4CAS 10068-07-2143.10 g/mol

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OOONHO
Ester

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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