chempirical

2,3-Dimethylanthraquinone

C16H12O2CAS 6531-35-7236.27 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C16H12O2
Molar mass
236.27 g/mol
Exact mass
236.0837 Da
Melting point
210.8 °C
logP
3.08Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
6531-35-7
SMILES
Cc1cc2c(cc1C)C(=O)c1ccccc1C2=O
InChIKey
KIJPZYXCIHZVGP-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 9,10-Anthracenedione, 2,3-dimethyl-
  • Anthraquinone, 2,3-dimethyl-
  • 2,3-Dimethyl-9,10-anthracenedione
  • 2,3-Dimethyl-9,10-anthraquinone
  • NSC 76612

Reactions

Work with 2,3-Dimethylanthraquinone

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

Anthraquinone84-65-164 % similar Bianthrone434-85-556 % similar 2-Aminoanthraquinone117-79-353 % similar 2-Chloroanthraquinone131-09-953 % similar 2-Methylbenzophenone131-58-853 % similar 2-Hydroxyanthraquinone605-32-353 % similar 2-tert-Butylanthraquinone84-47-953 % similar Disperse orange 1182-28-053 % similar

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

Same formula

1,4-Diphenyl-2-butene-1,4-dione4070-75-1 2-Ethylanthraquinone84-51-5 trans-1,2-Dibenzoylethylene959-28-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook