Cas no 4809-01-2 (1,7-diphenylheptane-1,3,5,7-tetrone)

1,7-diphenylheptane-1,3,5,7-tetrone structure
4809-01-2 structure
Product Name:1,7-diphenylheptane-1,3,5,7-tetrone
CAS No:4809-01-2
MF:C19H16O4
MW:308.327945709229
CID:1518476
PubChem ID:255052
Update Time:2025-04-21

1,7-diphenylheptane-1,3,5,7-tetrone Chemical and Physical Properties

Names and Identifiers

    • 1,7-diphenylheptane-1,3,5,7-tetrone
    • AC1L5RK5
    • AC1Q5F1K
    • KST-1A9497
    • CHEMBL549941
    • NSC80263
    • 1,7-Diphenyl-1,3,5,7-heptantetraon
    • SureCN10888944
    • 1,7-diphenyl-1,3,5,7-heptanetetrone
    • 1,7-Diphenyl-1,3,5,7-heptatetraon
    • CTK1D8238
    • 1,5-Dibenzoyl-acetylaceton
    • 1,3,5,7-Tetraoxo-1,7-diphenyl-heptan
    • AC1L5RK5; AC1Q5F1K; KST-1A9497; CHEMBL549941; NSC80263; 1,7-Diphenyl-1,3,5,7-heptantetraon; SureCN10888944; 1,7-diphenyl-1,3,5,7-heptanetetrone; 1,7-Diphenyl-1,3,5,7-heptatetraon; CTK1D8238; 1,5-Dibenzoyl-acetylaceton; 1,3,5,7-Tetraoxo-1,7-diphenyl-heptan;
    • NSC-80263
    • 4809-01-2
    • SCHEMBL10888944
    • DTXSID50292074
    • Inchi： 1S/C19H16O4/c20-16(12-18(22)14-7-3-1-4-8-14)11-17(21)13-19(23)15-9-5-2-6-10-15/h1-10H,11-13H2
    • InChI Key： DTVSERLMAHTHIL-UHFFFAOYSA-N
    • SMILES： O=C(CC(C1C=CC=CC=1)=O)CC(CC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 308.10488
  • Monoisotopic Mass: 308.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 412
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • Density: 1.199
  • Boiling Point: 478.3°C at 760 mmHg
  • Flash Point: 207.5°C
  • Refractive Index: 1.57
  • PSA: 68.28
  • LogP: 3.06070

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