Barbituric Acid
Barbituric synonyms
2,4,6(1H,3H,5H)-pyrimidinetrione; BARBITURIC ACID; 2,4,6-Pyrimidinetrione; Barbitursaeure; 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione; Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-; pyrimidine-2,4,6(1H,3H,5H)-trione; Barbiturate; 2,4,6-Trihydroxypyrimidine; 2,4,6(1H,3H,5H)-Pyrimidinetrione; Hexahydropyrimidine-2,4,6-trione
Graphical representations:
View large 3D structure
Molecular Formula: C4H4N2O3
Natural Isotopic Abundance Mass: 128.08616
Mono-Isotopic Molecular Masses:
- C12N14: 128.0221920051
- C13N14: 132.0356113563
- C12N15: 130.0162617915
- C13N15: 134.0296811427
InChI string: InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
PubChem Compound (CID): 6211CAS Registry number: 16564-27-5 32267-40-6 160336-60-7 154254-45-2 1194-23-6 51159-18-3 117491-80-2 158217-19-7 20964-57-2 223674-02-0 42910-84-9 118738-52-6 63896-95-7 4390-16-3 53853-41-1 67-52-7
Sigma-Aldrich: 11709_FLUKA
ChEBI: CHEBI:16294
ChemIDplus: 000067527
ChemSpider: 15298585
BIND: 712
EINECS: 200-658-0
NMRShiftDB: 20027388
ZINC: ZINC03008695
KEGG Compound ID: C00813
Specs: AG-670/31547005
ChemDB: 4260592
NIST Chemistry WebBook: 616905153
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)