Molecular Formula: C9H12N2O2
Natural Isotopic Abundance Mass: 180.20378
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C9H12N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-5,7,12H,6H2,1H3,(H,11,13)/t7-/m1/s1
EU-OPENSCREEN: EOS102597Reference 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)