Cas no 106242-18-6 (1,3-Cyclohexanedione, 5,5'-(1,4-phenylene)bis-)

1,3-Cyclohexanedione, 5,5'-(1,4-phenylene)bis- structure
106242-18-6 structure
Product Name:1,3-Cyclohexanedione, 5,5'-(1,4-phenylene)bis-
CAS No:106242-18-6
MF:C18H18O4
MW:298.333125591278
CID:1175079
Update Time:2024-08-05

1,3-Cyclohexanedione, 5,5'-(1,4-phenylene)bis- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione, 5,5'-(1,4-phenylene)bis-
    • Inchi: 1S/C18H18O4/c19-15-5-13(6-16(20)9-15)11-1-2-12(4-3-11)14-7-17(21)10-18(22)8-14/h1-4,13-14H,5-10H2
    • InChI Key: ITVISBXMTQMMBF-UHFFFAOYSA-N
    • SMILES: C1(C2CC(=O)CC(=O)C2)=CC=C(C2CC(=O)CC(=O)C2)C=C1

Computed Properties

  • Exact Mass: 422.2207

Experimental Properties

  • Density: 1.254±0.06 g/cm3(Predicted)
  • Boiling Point: 560.0±50.0 °C(Predicted)
  • PSA: 92.34
  • pka: 4.63±0.20(Predicted)
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