2-(4-acetylphenoxy)acetic Acid

2-(4-acetylphenoxy)acetic Acid bmse011435 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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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, https://www.nature.com/articles/sdata201773)