Biological Magnetic Resonance Data Bank

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

4-Hydroxy-benzoic Acid

Graphical representations:


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Molecular Formula: C7H6O3

Natural Isotopic Abundance Mass: 138.12074

Mono-Isotopic Molecular Masses:

  • C12N14: 138.0316940589
  • C13N14: 145.0551779235
  • C12N15: 138.0316940589
  • C13N15: 145.0551779235

InChI string: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

PubChem Compound (CID): 3456
CAS Registry number: 99-96-7
MMCD: cq_00114
PDB Compound ID: PHB

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,