chempirical

Violuric acid

C4H3N3O4CAS 87-39-8157.09 g/mol

Open in Covalent MOL file
OHNONOHOHN
Oxime

Properties

Molecular formula
C4H3N3O4
Molar mass
157.09 g/mol
Exact mass
157.0124 Da
Melting point
203.5 °C (decomposes)
logP
-0.14Crippen estimate
Polar surface area
114.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87-39-8
SMILES
O=C1N=C(O)C(=NO)C(O)=N1
InChIKey
JMUJZTASUDOAGC-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h11H,(H2,5,6,8,9,10)

Weigh it out

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Names and synonyms

6 names
  • 2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime
  • Alloxan, 5-oxime
  • 5-Isonitrosobarbituric acid
  • 5-(Hydroxyimino)barbituric acid
  • NSC 56338
  • VLA

Work with Violuric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Alloxan50-71-554 % similar 2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1)2244-11-348 % similar Murexide3051-09-045 % similar Barbituric acid67-52-742 % similar Alloxantin76-24-434 % similar 5-Amino-2,4,6(1H,3H,5H)-pyrimidinetrione118-78-533 % similar 5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione511-67-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Nitro-3-pyrazolecarboxylic acid198348-89-9 6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-2 1,2,3-Triazole-4,5-dicarboxylic acid4546-95-6 4-Nitro-1H-pyrazole-3-carboxylic acid5334-40-7 5-Nitro-2,4(1H,3H)-pyrimidinedione611-08-5

Elsewhere

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