Biological Magnetic Resonance Data Bank

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

2,5-dihydroxybenzoic Acid

Graphical representations:


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Molecular Formula: C7H6O4

Natural Isotopic Abundance Mass: 154.12014

Mono-Isotopic Molecular Masses:

  • C12N14: 154.026608681
  • C13N14: 161.0500925456
  • C12N15: 154.026608681
  • C13N15: 161.0500925456

InChI string: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)

CAS Registry number: 490-79-9 4955-90-2
CambridgeSoft Corporation: 3851
ChEBI: CHEBI:17189
KEGG Compound ID: C00628
NIST Chemistry WebBook: 1243319532
NMRShiftDB: 10009263
PDB Compound ID: GTQ
PubChem Compound (CID): 3469
Sigma-Aldrich: 149357_ALDRICH

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,