BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

4-(hydroxymethyl)phenol

4-(hydroxymethyl)phenol bmse012285 - Data

4-(hydroxymethyl)phenol synonyms

Wikipedia:

Graphical representations:

4-(hydroxymethyl)phenol

View large 3D structure

Molecular Formula: C7H8O2

Natural Isotopic Abundance Mass: 124.13721999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 124.052429496
  • C13N14: 131.07591336200002
  • C12N15: 124.052429496
  • C13N15: 131.07591336200002

InChI string: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2

IUPAC: b'4-(Hydroxymethyl)phenol'

EU-OPENSCREEN: EOS103027

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)