3-(1,2-oxazole-5-carbonylamino)benzoic Acid

3-(1,2-oxazole-5-carbonylamino)benzoic Acid bmse011637 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H8N2O4

Natural Isotopic Abundance Mass: 232.19221999999996

Mono-Isotopic Molecular Masses:

  • C12N14: 232.048406746
  • C13N14: 243.08530996400006
  • C12N15: 234.04247653200002
  • C13N15: 245.07937975000007

InChI string: InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)

wwPDB CCD: JGS

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)