2-(acetyl-methylamino)benzoic Acid

2-(acetyl-methylamino)benzoic Acid bmse011456 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H11NO3

Natural Isotopic Abundance Mass: 193.19923999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 193.073893217
  • C13N14: 203.10744159700005
  • C12N15: 194.07092811
  • C13N15: 204.10447649000005

InChI string: InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)

IUPAC: 2-(acetyl-methylamino)benzoic 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)