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-Furoic Acid

Graphical representations:

3-Furoic acid image

Molecular Formula: C5 H4 O3

Natural Isotopic Abundance Mass: 112.08346

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical and isomeric SMILES: C1=COC=C1C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
furan-3-carboxylic acid

PUBCHEM iupac TRADITIONAL NAME
3-furoic acid

PUBCHEM iupac CAS NAME
3-furancarboxylic acid

PubChem Substance (SID):   126596882   24849746   8147959
PubChem Compound (CID):   10268
KEGG: Compound ID   n/a
CAS Registry IDs:   488-93-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 488-93-7   MMCD cq_10623   Beilstein Registry Number 108638   MDL number MFCD00005350   Sigma-Aldrich 163392_ALDRICH   ChEBI CHEBI:30846   ChemIDplus 000488937   ChemSpider 9849   EINECS 207-689-9   NMRShiftDB 20051730   NIST Chemistry WebBook 2041374946   NIST 2041374946

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.