1,4-Anthraquinone

C₁₄H₈O₂CAS 635-12-1208.22 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

Weigh it out

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

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-Diphenyl-2-butene-1,4-dione4070-75-150 % similar 2,3-Naphthalenedicarboxylic anhydride716-39-250 % similar trans-1,2-Dibenzoylethylene959-28-450 % similar Juglone481-39-042 % similar 3-Amino-2-naphthoic acid5959-52-442 % similar 3-Hydroxy-2-naphthoic acid92-70-642 % similar Anthracene120-12-741 % similar 2-Acetylnaphthalene93-08-341 % 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