Citraconic Acid
Citraconic_acid synonyms
2-Methylmaleate; METHYLMALEIC ACID; 2-Butenedioic acid, 2-methyl-, (Z)- (9CI); Maleic acid, methyl-; CITRACONIC ACID; (Z)-2-Methyl-2-butenedioic acid; BRN 1722679; Methylmaleic acid; 2-Methyl-2-butenedioic acid; Citraconate; cis-Methylbutenedioic acid
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=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/f/h6,8H
IUPAC: 2-methylbut-2-enedioic acid
PubChem Compound (CID): 874KEGG Compound ID: C02226
CAS Registry number: 498-23-7
ChEBI: 30719
EINECS: 207-858-7
Beilstein Handbook Reference: 4-02-00-02230
NSC: 32949
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, https://www.nature.com/articles/sdata201773)