1,4,5,8-Tetrahydroxy-9,10-anthracenedione

C₁₄H₈O₆CAS 81-60-7272.21 g/mol

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Properties

Molecular formula: C₁₄H₈O₆
Molar mass: 272.21 g/mol
Exact mass: 272.0321 Da
Melting point: 246 °C
logP: 1.28Crippen estimate
Polar surface area: 115.1 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 0

Identifiers

CAS number

81-60-7

SMILES

O=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21

InChIKey

SOGCSKLTQHBFLP-UHFFFAOYSA-N

InChI

InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H

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Names and synonyms

5 names

9,10-Anthracenedione, 1,4,5,8-tetrahydroxy-
Anthraquinone, 1,4,5,8-tetrahydroxy-
1,4,5,8-Tetrahydroxyanthraquinone
1,4,5,8-Tetrahydroxy-9,10-anthraquinone
NSC 401144

Work with 1,4,5,8-Tetrahydroxy-9,10-anthracenedione

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

1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-371 % similar 1,8-Dihydroxyanthraquinone117-10-260 % similar 1,5-Dihydroxy-4,8-dinitro-9,10-anthracenedione128-91-659 % similar 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione81-55-059 % similar Anthrarufin117-12-456 % similar Dithranol1143-38-056 % similar Naphthazarin475-38-754 % similar 1-Amino-4-hydroxyanthraquinone116-85-853 % similar

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

Same formula

Quinalizarin81-61-8

Elsewhere

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