Phenol

Phenol bmse000290 - Data bmse010026 - Data bmst000281 - Theory

Phenol synonyms

Wikipedia:

Graphical representations:

Phenol

View large 3D structure

Molecular Formula: C6H6O

Natural Isotopic Abundance Mass: 94.11124

Mono-Isotopic Molecular Masses:

  • C12N14: 94.0418648147
  • C13N14: 100.0619938415
  • C12N15: 94.0418648147
  • C13N15: 100.0619938415

InChI string: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

USDA_NMR_database: 38
PDB Compound ID: IPH

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)