Oxalic acid

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Oxalic acid are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Oxalic acid?

The molecule Oxalic acid presents a molecular formula of C2H2O4 and its IUPAC name is oxalic acid.

Oxalic acid is a molecule that belongs in many plants and vegetables. It is also found in some fruits, such as strawberries. Oxalic acid is a sour-tasting compound that is used as a food additive. It is also used in some industrial processes..

Oxalic acid is a colorless, crystalline solid. It is soluble in water and insoluble in alcohol. It has a molecular weight of 90.03 g/mol and a melting point of 101.7 °C..

Oxalic acid is produced by the oxidation of carbohydrates. It is also a byproduct of the metabolism of some amino acids. Oxalic acid is used as a food additive and in some industrial processes..

In food, oxalic acid is used as a bleaching agent, an antioxidant, and a preservative. It is also used to add acidity to foods. In industry, oxalic acid is used in the manufacture of dyes, inks, and some cleaning products..

Oxalic acid can be harmful if ingested in large amounts. It can cause kidney stones and other health problems..

3D structure

Cartesian coordinates

Geometry of Oxalic acid in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


Oxalic acid MUBZPKHOEPUJKR-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Oxalic acid


Molecule descriptors

IUPAC nameoxalic acid
InChI codeInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC nameoxalic acid
Molecular formulaC2H2O4
Molecular weight90.03
Melting point (ºC)189.5
Boiling point (ºC)157
Density (g/cm3)1.9
Molar refractivity
Topological polar surface area74.6

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.