BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2,3-dihydro-2-oxofuran-5-acetate

Graphical representations:

2,3-dihydro-2-oxofuran-5-acetate image

Molecular Formula: C6 H5 O4

Natural Isotopic Abundance Mass: 141.1015

Mono-Isotopic Molecular Masses:

  • C12N14: 141.0187836489
  • C13N14: 147.0389126757
  • C12N15: 141.0187836489
  • C13N15: 147.0389126757

InCHi String: InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)/p-1

canonical and isomeric SMILES: C1C=C(OC1=O)CC(=O)[O-]

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-(2-oxo-3H-furan-5-yl)acetate

PUBCHEM iupac TRADITIONAL NAME
2-(2-keto-3H-furan-5-yl)acetate

PUBCHEM iupac SYSTEMATIC NAME
2-(2-oxidanylidene-3H-furan-5-yl)ethanoate

PubChem Substance (SID):   160963350   46475579   92741345
PubChem Compound (CID):   23615198
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:58425   ChemSpider 19951100

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.