Fluorenone

C13H8OCAS 486-25-9180.21 g/mol

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O
Ketone

Properties

Molecular formula
C13H8O
Molar mass
180.21 g/mol
Exact mass
180.0575 Da
Density
1.13 g/mL (at 99 °C)
Melting point
84 °C
Boiling point
341.5 °C
Water solubility
insoluble
logP
2.90Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
486-25-9
SMILES
O=C1c2ccccc2-c2ccccc21
InChIKey
YLQWCDOCJODRMT-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

Weigh it out

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

Names and synonyms

4 names
  • 9H-Fluoren-9-one
  • Fluoren-9-one
  • NSC 5181
  • 9H-Fluorene-9-one

Work with Fluorenone

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

Anthraquinone84-65-172 % similar Benzanthrone82-05-368 % similar Violanthrone116-71-265 % similar Isoviolanthrone128-64-365 % similar 3-Bromo-9H-fluoren-9-one2041-19-263 % similar 2-Bromo-9-fluorenone3096-56-863 % similar 2-Amino-9H-fluoren-9-one3096-57-963 % similar 2-Hydroxyfluorenone6949-73-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia