Itaconic Acid

Itaconic_acid synonyms

Methylenesuccinic acid; Propylenedicarboxylic acid; Butanedioic acid, methylene-; Methylenebutanedioic acid; Succinic acid, methylene-; 2-Propene-1,2-dicarboxylic acid; Itaconate; METHYLENESUCCINIC ACID; Succinic acid, methylene- (8CI)


Graphical representations:


View large 3D structure

Molecular Formula: C5H6O4

Natural Isotopic Abundance Mass: 130.0987400000

Mono-Isotopic Molecular Masses:

  • C12N14: 130.026608681
  • C13N14: 135.04338287
  • C12N15: 130.026608681
  • C13N15: 135.04338287

InChI string: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)

IUPAC: 2-methylidenebutanedioic acid

PubChem Compound (CID): 811
KEGG Compound ID: C00490
CAS Registry number: 50976-31-3 5363-69-9 97-65-4
ChEBI: 30838
HSDB: 5308
EINECS: 202-599-6
NSC: 3357

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,