chempirical

1,8-Dihydroxyanthraquinone

C14H8O4CAS 117-10-2240.21 g/mol

Open in Covalent MOL file
OOHOOH
KetonePhenol

Properties

Molecular formula
C14H8O4
Molar mass
240.21 g/mol
Exact mass
240.0423 Da
Melting point
193 °C
Water solubility
< 1 g/L (17.8 °C)
logP
1.87Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
117-10-2
SMILES
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
InChIKey
QBPFLULOKWLNNW-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H

Weigh it out

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

Names and synonyms

26 names · show all
  • 9,10-Anthracenedione, 1,8-dihydroxy-
  • Anthraquinone, 1,8-dihydroxy-
  • 1,8-Dihydroxy-9,10-anthracenedione
  • Altan
  • Antrapurol
  • Chrysazin
  • Danthron
  • Dantron
  • Diaquone
  • Dionone
  • Istin
  • Istizin
  • Dorbane
  • Laxipurin
  • Zwitsalax
  • Laxanorm
  • Laxanthreen
  • Laxipur
  • 1,8-Dihydroxy-9,10-anthraquinone
  • 1,8-Dioxyanthraquinone
  • Danthrone
  • Modane
  • NSC 38626
  • NSC 646568
  • NSC 7210
  • 1,8-Dihydroxy-9,10-dihydroanthracene-9,10-dione

Work with 1,8-Dihydroxyanthraquinone

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-Hydroxyanthraquinone129-43-185 % similar Chrysophanol481-74-370 % similar Rhein (molecule)478-43-366 % similar Aloe emodin481-72-166 % similar 2,2′-Dihydroxybenzophenone835-11-065 % similar Dithranol1143-38-060 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-760 % similar 1,8-Dichloroanthraquinone82-43-955 % similar

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

Same formula

Anthrarufin117-12-4 Alizarin72-48-0 1,4-Dihydroxyanthraquinone81-64-1 2,6-Dihydroxyanthraquinone84-60-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook