chempirical

Quinalizarin

C14H8O6CAS 81-61-8272.21 g/mol

Open in Covalent MOL file
OOHOHOOHOH
KetonePhenol

Properties

Molecular formula
C14H8O6
Molar mass
272.21 g/mol
Exact mass
272.0321 Da
Melting point
above 275 °C
logP
1.28Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
81-61-8
SMILES
O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21
InChIKey
VBHKTXLEJZIDJF-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H

Weigh it out

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

Names and synonyms

18 names · show all
  • 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-
  • Anthraquinone, 1,2,5,8-tetrahydroxy-
  • 1,2,5,8-Tetrahydroxy-9,10-anthracenedione
  • C.I. 58500
  • Alizarinbordeaux
  • Alizarine bordeaux B
  • C.I. Mordant violet 26
  • Quinalizarine
  • 1,2,5,8-Tetrahydroxyanthraquinone
  • Alizarine bordeaux
  • Khinalizarin
  • 1,2,5,8-Tetrahydroxy-9,10-anthraquinone
  • 1,4,5,6-Tetrahydroxyanthraquinone
  • Alizarin bordeaux BD
  • NSC 144046
  • NSC 4896
  • PHF 016
  • Quinazarin

Work with Quinalizarin

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

Alizarin72-48-074 % similar 1,2,4-Trihydroxyanthraquinone81-54-956 % similar Anthrarufin117-12-455 % similar 1,8-Dihydroxyanthraquinone117-10-253 % similar 1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-352 % similar 2,3,4-Trihydroxybenzophenone1143-72-250 % similar 1-Hydroxyanthraquinone129-43-150 % similar Exifone52479-85-350 % similar

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

Same formula

1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia