Benzene-1,3-diol

Benzene-1,3-diol bmse012652 - Data

Benzene-1,3-diol synonyms

Wikipedia:

Graphical representations:

benzene-1,3-diol

View large 3D structure

Molecular Formula: C6H6O2

Natural Isotopic Abundance Mass: 110.11063999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 110.036779432
  • C13N14: 116.05690846000002
  • C12N15: 110.036779432
  • C13N15: 116.05690846000002

InChI string: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

IUPAC: b'benzene-1,3-diol'

BMRB Ligand Expo: RCO
EU-OPENSCREEN: EOS103486

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)