chempirical

Xanthone

C13H8O2CAS 90-47-1196.20 g/mol

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Properties

Molecular formula
C13H8O2
Molar mass
196.20 g/mol
Exact mass
196.0524 Da
Melting point
174 °C
Boiling point
351 °C
logP
2.95Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
90-47-1
SMILES
O=c1c2ccccc2oc2ccccc12
InChIKey
JNELGWHKGNBSMD-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H

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Names and synonyms

12 names
  • 9H-Xanthen-9-one
  • Xanthen-9-one
  • Benzophenone oxide
  • Dibenzo-γ-pyrone
  • Diphenylene ketone oxide
  • Genicide
  • 9-Oxoxanthene
  • 9H-Xanthene, 9-oxo-
  • Xanthenone
  • 9-Xanthone
  • NSC 14978
  • Dibenzo[b,e]pyran-10-one

Reactions

Work with Xanthone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzofuran132-64-965 % similar 3-Hydroxyflavone577-85-553 % similar Dibenzo[A,D]cyclohepten-5-one2222-33-550 % similar Isoflavone574-12-948 % similar 3-Formylchromone17422-74-147 % similar Thioxanthone492-22-846 % similar 4-Hydroxycoumarin1076-38-645 % similar 1-Bromodibenzofuran50548-45-345 % similar

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

Same formula

2-Hydroxyfluorenone6949-73-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia