chempirical

Acenaphthoquinone

C12H6O2CAS 82-86-0182.18 g/mol

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OO
Ketone

Properties

Molecular formula
C12H6O2
Molar mass
182.18 g/mol
Exact mass
182.0368 Da
Density
1.48 g/mL
Melting point
261 °C
logP
2.22Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
82-86-0
SMILES
O=C1C(=O)c2cccc3cccc1c23
InChIKey
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H

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Names and synonyms

11 names
  • 1,2-Acenaphthylenedione
  • Acenaphthenequinone
  • 1,2-Acenaphthenedione
  • 1,2-Acenaphthenequinone
  • Acenaphthenedione
  • Acenaphthylenequinone
  • Acenaphthylene-1,2-quinone
  • NSC 7656
  • Acenapthylen-1,2-dione
  • Acenaphthalen-1,2-dione
  • 1,2-Dihydroacenaphthylene-1,2-dione

Reactions

Work with Acenaphthoquinone

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

1,8-Naphthalic anhydride81-84-558 % similar Naphthalimide81-83-453 % similar N-Hydroxynaphthalimide7797-81-152 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-550 % similar Phenanthrenequinone84-11-750 % similar Naphthalamic acid5811-88-147 % similar Benzanthrone82-05-347 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-344 % similar

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

Elsewhere

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