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-Hydroxybenzaldehyde

Graphical representations:

4_Hydroxybenzaldehyde

View large 3D structure

Molecular Formula: C7H6O2

Natural Isotopic Abundance Mass: 122.12134

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0367794368
  • C13N14: 129.0602633014
  • C12N15: 122.0367794368
  • C13N15: 129.0602633014

InChI string: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

PubChem Compound (CID): 3906
CAS Registry number: 123-08-0
MMCD: cq_00444
MDL: MFCD00006939
PDB Compound ID: HBA

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)