2-(phenylmethoxy)acetic Acid

2-(phenylmethoxy)acetic Acid bmse011765 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H10O3

Natural Isotopic Abundance Mass: 166.17389999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 166.06299418
  • C13N14: 175.09318772200004
  • C12N15: 166.06299418
  • C13N15: 175.09318772200004

InChI string: InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

IUPAC: 2-(phenylmethoxy)acetic acid

wwPDB CCD: O1J

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)