CHEBI:52141 - squaric acid

ChEBI IDCHEBI:52141
ChEBI Namesquaric acid
Stars
DefinitionA carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4.
Last Modified1 September 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H2O4
Net Charge0
Average Mass114.056
Monoisotopic Mass113.99531
SMILESO=c1c(O)c(O)c1=O
InChIInChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
InChIKeyPWEBUXCTKOWPCW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
squaric acid (CHEBI:52141) has role metabolite (CHEBI:25212)
squaric acid (CHEBI:52141) is a alicyclic ketone (CHEBI:36132)
squaric acid (CHEBI:52141) is a carbon oxoacid (CHEBI:35605)
squaric acid (CHEBI:52141) is conjugate acid of hydrogensquarate (CHEBI:59711)
Incoming Relation(s)
squaric acid dibutyl ester (CHEBI:53612) has functional parent squaric acid (CHEBI:52141)
hydrogensquarate (CHEBI:59711) is conjugate base of squaric acid (CHEBI:52141)
IUPAC Name 
3,4-dihydroxycyclobut-3-ene-1,2-dione
Synonyms  Source
1,2-Diketo-3,4-dihydroxycyclobuteneChemIDplus
Quadratic acidChemIDplus
3,4-dihydroxy-3-cyclobutene-1,2-dioneNIST Chemistry WebBook
QuadratsäureChemIDplus
1,2-dioxo-3,4-dihydroxycyclobuteneChEBI
1,2-dioxo-3,4-dihydroxycyclobut-3-eneChEBI
Manual XrefsDatabases
Squaric_acidWikipedia
Registry NumbersSources
Reaxys:774275Reaxys
CAS:2892-51-5ChemIDplus
CAS:2892-51-5NIST Chemistry WebBook