Cas no 336784-89-5 (3,5-Heptanedione, 1-(4-hydroxyphenyl)-7-phenyl-)

3,5-Heptanedione, 1-(4-hydroxyphenyl)-7-phenyl- structure
336784-89-5 structure
Product Name:3,5-Heptanedione, 1-(4-hydroxyphenyl)-7-phenyl-
CAS No:336784-89-5
MF:C19H20O3
MW:296.360305786133
CID:1465458
Update Time:2024-08-24

3,5-Heptanedione, 1-(4-hydroxyphenyl)-7-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Heptanedione, 1-(4-hydroxyphenyl)-7-phenyl-
    • Inchi: 1S/C19H20O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,20H,8-9,12-14H2
    • InChI Key: NHWUJCHOBBGHCP-UHFFFAOYSA-N
    • SMILES: C(C1=CC=C(O)C=C1)CC(=O)CC(=O)CCC1=CC=CC=C1

Computed Properties

  • Exact Mass: 296.1413

Experimental Properties

  • Density: 1.147±0.06 g/cm3(Predicted)
  • Boiling Point: 469.9±30.0 °C(Predicted)
  • PSA: 54.37
  • pka: 9.39±0.10(Predicted)

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