Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-(4-acetylphenoxy)acetic Acid

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C10H10O4

Natural Isotopic Abundance Mass: 194.18399999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0579088
  • C13N14: 204.09145718000005
  • C12N15: 194.0579088
  • C13N15: 204.09145718000005

InChI string: InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)

IUPAC: 2-(4-acetylphenoxy)acetic acid

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,