chempirical

1,2,4-Trihydroxyanthraquinone

C14H8O5CAS 81-54-9256.21 g/mol

Open in Covalent MOL file
OOOHHOOH
KetonePhenol

Properties

Molecular formula
C14H8O5
Molar mass
256.21 g/mol
Exact mass
256.0372 Da
Melting point
259 °C
logP
1.58Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0

Identifiers

CAS number
81-54-9
SMILES
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21
InChIKey
BBNQQADTFFCFGB-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H

Weigh it out

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

Names and synonyms

14 names · show all
  • 9,10-Anthracenedione, 1,2,4-trihydroxy-
  • Purpurin
  • Anthraquinone, 1,2,4-trihydroxy-
  • 1,2,4-Trihydroxy-9,10-anthracenedione
  • C.I. 58205
  • C.I. 75410
  • Hydroxylizaric acid
  • Smoke brown G
  • Verantin
  • Purpurine
  • Purpurin (dye)
  • 1,2,4-Trihydroxy-9,10-anthraquinone
  • NSC 10447
  • 1,2,4-Trihydroxy-9,10-dihydroanthracene-9,10-dione

Work with 1,2,4-Trihydroxyanthraquinone

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

Alizarin72-48-067 % similar 9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid145-48-263 % similar Rubiadin117-02-258 % similar 1-Hydroxyanthraquinone129-43-158 % similar 1-Amino-2-bromo-4-hydroxy-9,10-anthracenedione116-82-556 % similar Quinalizarin81-61-856 % similar 1-Amino-4-hydroxyanthraquinone116-85-856 % similar Lucidin478-08-055 % similar

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

Elsewhere

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