Anthrarufin

C₁₄H₈O₄CAS 117-12-4240.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₈O₄
Molar mass: 240.21 g/mol
Exact mass: 240.0423 Da
Density: 1.56 g/mL
Melting point: 280 °C
logP: 1.87Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

117-12-4

SMILES

O=C1c2cccc(O)c2C(=O)c2cccc(O)c21

InChIKey

JPICKYUTICNNNJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H

Weigh it out

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

Names and synonyms

8 names

9,10-Anthracenedione, 1,5-dihydroxy-
Anthraquinone, 1,5-dihydroxy-
1,5-Dihydroxy-9,10-anthracenedione
1,5-Dihydroxyanthraquinone
1,5-Dihydroxy-9,10-anthraquinone
NSC 646570
NSC 7211
1,5-Dihydroxy-9,10-dihydroanthracene-9,10-dione

Work with Anthrarufin

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-Hydroxyanthraquinone129-43-188 % similar Chrysophanol481-74-362 % similar 2,2′-Dihydroxybenzophenone835-11-062 % similar Rhein (molecule)478-43-358 % similar Aloe emodin481-72-158 % similar Dithranol1143-38-057 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-756 % similar 3-Hydroxyphthalic anhydride37418-88-555 % similar

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

Same formula

1,8-Dihydroxyanthraquinone117-10-2 Alizarin72-48-0 1,4-Dihydroxyanthraquinone81-64-1 2,6-Dihydroxyanthraquinone84-60-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook