2-(4-ethoxyphenyl)acetic Acid

2-(4-ethoxyphenyl)acetic Acid bmse011437 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H12O3

Natural Isotopic Abundance Mass: 180.2004799999999

Mono-Isotopic Molecular Masses:

  • C12N14: 180.078644244
  • C13N14: 190.11219262400004
  • C12N15: 180.078644244
  • C13N15: 190.11219262400004

InChI string: InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

IUPAC: 2-(4-ethoxyphenyl)acetic acid

wwPDB CCD: YI6

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)