Biological Magnetic Resonance Data Bank

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

1,4-dihydroxy-2-naphthanoic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C11H8O4

Natural Isotopic Abundance Mass: 204.17882

Mono-Isotopic Molecular Masses:

  • C12N14: 204.0422587452
  • C13N14: 215.079161961
  • C12N15: 204.0422587452
  • C13N15: 215.079161961

InChI string: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)

CAS Registry number: 31519-22-9
ChEBI: CHEBI:18094
ChemDB: 4562741
EPA DSSTox: 37784
KEGG Compound ID: C03657
MDL: MFCD00010370
MMCD: cq_02168
NIST: 501546681
PDB Compound ID: DNA
PubChem Compound (CID): 671
Sigma-Aldrich: 281255_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,