2-(4-phenylphenyl)acetic Acid

2-(4-phenylphenyl)acetic Acid bmse011053 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H12O2

Natural Isotopic Abundance Mass: 212.24387999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 212.083729624
  • C13N14: 226.13069735600007
  • C12N15: 212.083729624
  • C13N15: 226.13069735600007

InChI string: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

IUPAC: 2-(4-phenylphenyl)acetic acid

wwPDB CCD: BP4

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)