chempirical

Benzoquinone dioxime

C6H6N2O2CAS 105-11-3138.13 g/mol

Open in Covalent MOL file
HONNOH
AlkeneOxime

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
243 °C (decomposes)
logP
0.77Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
105-11-3
SMILES
ON=C1C=CC(=NO)C=C1
InChIKey
LNHURPJLTHSVMU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • 2,5-Cyclohexadiene-1,4-dione, 1,4-dioxime
  • p-Benzoquinone, dioxime
  • 2,5-Cyclohexadiene-1,4-dione, dioxime
  • p-Quinone dioxime
  • p-Quinone oxime
  • 1,4-Benzoquinone dioxime
  • Actor Q
  • Vulnoc GM
  • Quinone dioxime
  • Vulnoc GM-P
  • GM-P
  • NSC 14433
  • NSC 4774
  • Vulnoc DM
  • Luxomaxx K-CDO

Work with Benzoquinone dioxime

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

2,4-Pentanedione oxime2157-56-442 % similar Methylethyl ketone oxime96-29-738 % similar Acetone oxime127-06-033 % similar Dichloroglyoxime2038-44-033 % similar Cyclopentanone oxime1192-28-530 % similar Acetohydroxamic acid546-88-330 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1 3-Aminopicolinic acid1462-86-8

Elsewhere

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