chempirical

5-(2-Furyl)isoxazole-3-carboxylic acid

C8H5NO4CAS 98434-06-1179.13 g/mol

Open in Covalent MOL file
ONOOOH
Carboxylic acid

Properties

Molecular formula
C8H5NO4
Molar mass
179.13 g/mol
Exact mass
179.0219 Da
logP
1.63Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
98434-06-1
SMILES
C1=COC(=C1)C2=CC(=NO2)C(=O)O
InChIKey
MLWFYCMVBAIITM-UHFFFAOYSA-N
InChI
InChI=1S/C8H5NO4/c10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-4H,(H,10,11)

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Work with 5-(2-Furyl)isoxazole-3-carboxylic acid

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

5-Phenylisoxazole-3-carboxylic acid14441-90-863 % similar 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-355 % similar 5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid33282-24-555 % similar 3-Methyl-5-isoxazolecarboxylic acid3405-77-449 % similar 2-Furoic acid88-14-246 % similar 3-Isoxazolecarboxylic acid3209-71-045 % similar Dipicolinic acid499-83-241 % similar 6-Hydroxypicolinic acid19621-92-239 % similar

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

Same formula

5-Hydroxy isatoic anhydride195986-91-5 6-Nitrophthalide610-93-5

Elsewhere

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