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Chemical structure of 1,4-Chrysenedione

GC33314

1,4-Chrysenedione

Also listed as 1,4-Chrysenequinone (Chrysene-1,4-dione)

1,4-Chrysenequinone (Chrysene-1,4-dione), a polycyclic aromatic quinone, acts as an activator of aryl hydrocarbon receptor (AhR)

ChemicalCAS100900-16-1MW258.27FormulaC18H10O2
CAS number
100900-16-1
Molecular weight
258.27
Formula
C18H10O2
Solubility
DMSO： 3·33 mg/mL (12·89 mM)
InChIKey
UORKIKBNUWJNJF-UHFFFAOYSA-N
Catalogue number
GC33314
Brand
GLPBIO
Computed properties PubChem CID 180933 · XLogP 3.9 · TPSA 34.1 Ų · H-bond donors 0
XLogP
3.9
TPSA
34.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20

SMILES C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C=CC4=O

Computed descriptors from PubChem (CID 180933), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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