1,4-Anthraquinone

C14H8O2CAS 635-12-1208.22 g/mol

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AlkeneKetone

Properties

Molecular formula
C14H8O2
Molar mass
208.22 g/mol
Exact mass
208.0524 Da
Melting point
206 °C (decomposes)
logP
2.77Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
635-12-1
SMILES
O=C1C=CC(=O)c2cc3ccccc3cc21
InChIKey
LSOTZYUVGZKSHR-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H

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Names and synonyms

4 names
  • 1,4-Anthracenedione
  • 1,4-Anthracenequinone
  • NSC 104530
  • 1,4-Dihydroanthracene-1,4-dione

Work with 1,4-Anthraquinone

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

1,4-Naphthoquinone130-15-465 % similar 6,13-Pentacenequinone3029-32-156 % similar 2,3-Naphthalenedicarboxylic acid2169-87-150 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-150 % similar 2,3-Naphthalenedicarboxylic anhydride716-39-250 % similar trans-1,2-Dibenzoylethylene959-28-450 % similar Dimethyl 2,3-naphthalenedicarboxylate13728-34-245 % similar Juglone481-39-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenanthrenequinone84-11-7 Anthraquinone84-65-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook