BMRB

Biological Magnetic Resonance Data Bank


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

3-hydroxybenzoic Acid

Graphical representations:

3-hydroxybenzoic acid image

Molecular Formula: C7 H6 O3

Natural Isotopic Abundance Mass: 138.12074

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical and isomeric SMILES: C1=CC(=CC(=C1)O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3-hydroxybenzoic acid

PubChem Substance (SID):   85165124   36532626   5562831
PubChem Compound (CID):   7420
KEGG: Compound ID   C00587
CAS Registry IDs:   99-06-9
PDB Chemical Component   3HB
Miscellaneous Databases and IDs:   ChEBI CHEBI:30764   Shanghai Institute of Organic Chemistry 3pcb   ChemSpider 13865861   NIST 3938158348   EPA DSSTox 1610   DTP/NCI 55746   NMRShiftDB 10024829   Sigma-Aldrich H20008_ALDRICH   ChemDB 3969309

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.