Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C2H2O4

Natural Isotopic Abundance Mass: 90.0348800000

Mono-Isotopic Molecular Masses:

  • C12N14: 89.9953085526
  • C13N14: 92.0020182282
  • C12N15: 89.9953085526
  • C13N15: 92.0020182282

InChI string: InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/f/h3,5H

IUPAC: oxalic acid

PubChem Compound (CID): 971
KEGG Compound ID: C00209
CAS Registry number: 144-62-7 216451-38-6 63504-28-9 97993-78-7
ChEBI: 30623
EINECS: 205-634-3
Beilstein Handbook Reference: 4-02-00-01819
CCRIS: 1454
NSC: 62774
HSDB: 1100

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,