Benzanthrone

C17H10OCAS 82-05-3230.27 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C17H10O
Molar mass
230.27 g/mol
Exact mass
230.0732 Da
Melting point
170 °C
logP
4.05Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
82-05-3
SMILES
O=C1c2ccccc2-c2cccc3cccc1c23
InChIKey
HUKPVYBUJRAUAG-UHFFFAOYSA-N
InChI
InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H

Weigh it out

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

Names and synonyms

9 names
  • 7H-Benz[de]anthracen-7-one
  • Benzanthrenone
  • 7-Oxobenz[de]anthracene
  • Naphthanthrone
  • Benzoanthrone
  • 1,9-Benz-10-anthrone
  • NSC 5189
  • NSC 631641
  • 7H-Benz[d,e]anthracene-7-one

Reactions

Work with Benzanthrone

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

Fluorenone486-25-968 % similar Violanthrone116-71-265 % similar Isoviolanthrone128-64-365 % similar Pyranthrone128-70-161 % similar 3-Bromobenzanthrone81-96-960 % similar 1,9-Pyrazoloanthrone129-56-650 % similar 4-Bromo-9H-fluoren-9-one4269-17-450 % similar Anthraquinone84-65-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Pyrenecarboxaldehyde3029-19-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia