4-Acetoxy Benzoic Acid

4-Acetoxy Benzoic Acid bmse010135 - Data

4_Acetoxy_benzoic_acid synonyms

Wikipedia:

Graphical representations:

4_Acetoxy_benzoic_acid

View large 3D structure

Molecular Formula: C9H8O4

Natural Isotopic Abundance Mass: 180.15742

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0422587452
  • C13N14: 189.0724522854
  • C12N15: 180.0422587452
  • C13N15: 189.0724522854

InChI string: InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)

USDA_NMR_database: 208

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)