Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-hydroxybenzoic 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/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

PubChem Compound (CID): 7420
CAS Registry number: 99-06-9
ChEBI: CHEBI:30764
Shanghai Institute of Organic Chemistry: 3pcb
ChemSpider: 13865861
NIST: 3938158348
EPA DSSTox: 1610
KEGG Compound ID: C00587
DTP/NCI: 55746
NMRShiftDB: 10024829
Sigma-Aldrich: H20008_ALDRICH
ChemDB: 3969309
PDB Compound ID: 3HB

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,