3-Isoxazolecarboxylic acid

C4H3NO3CAS 3209-71-0113.07 g/mol

Open in Covalent MOL file
OHOON
Carboxylic acid

Properties

Molecular formula
C4H3NO3
Molar mass
113.07 g/mol
Exact mass
113.0113 Da
Melting point
149 °C
logP
0.37Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
3209-71-0
SMILES
O=C(O)c1ccon1
InChIKey
UXYRXGFUANQKTA-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)

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

Names and synonyms

1 names
  • 1,2-Oxazole-3-carboxylic acid

Work with 3-Isoxazolecarboxylic 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

3,6-Pyridazinedicarboxylic acid57266-70-352 % similar Dipicolinic acid499-83-248 % similar 2,5-Pyrazinedicarboxylic acid122-05-446 % similar 1,10-Phenanthroline-2,9-dicarboxylic acid57709-61-245 % similar 5-(2-Furyl)isoxazole-3-carboxylic acid98434-06-145 % similar 3-Methyl-5-isoxazolecarboxylic acid3405-77-444 % similar 4-Thiazolecarboxylic acid3973-08-844 % similar 1,2,3-Thiadiazole-4-carboxylic acid4100-13-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxazole-5-carboxylic acid118994-90-4 1,2-Oxazole-5-carboxylic acid21169-71-1 4-Oxazolecarboxylic acid23012-13-7 N-Hydroxymaleimide4814-74-8 4-Isoxazolecarboxylic acid6436-62-0

Elsewhere

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