Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-Furoic Acid

Graphical representations:


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Molecular Formula: C5H4O3

Natural Isotopic Abundance Mass: 112.08346

Mono-Isotopic Molecular Masses:

  • C12N14: 112.0160439947
  • C13N14: 117.0328181837
  • C12N15: 112.0160439947
  • C13N15: 117.0328181837

InChI string: InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

PubChem Compound (CID): 6919
CAS Registry number: 88-14-2
Ambinter: STK256918
ChEBI: CHEBI:30845
ChemSpider: 13885741
DiscoveryGate: 6919
KEGG Compound ID: F20505_ALDRICH
Sigma-Aldrich: F20505_ALDRICH
MMDB: 43825.9
PDB Compound ID: C21 FOA

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,