Cas no 10437-98-6 (1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl-)

1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl- structure
10437-98-6 structure
Product Name:1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl-
CAS No:10437-98-6
MF:C20H14O5
MW:334.322165966034
CID:212682
PubChem ID:260508
Update Time:2025-04-19

1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl-
    • 1-(1,3-dioxoinden-2-yl)-5-phenylpentane-1,3,5-trione
    • 1,3,5-Pentanetrione,1-(1,3-dioxo-2-indanyl)-5-phenyl- (8CI)
    • NSC 91854
    • 1-(1,3-dioxo-2,3-dihydro-1h-inden-2-yl)-5-phenylpentane-1,3,5-trione
    • NSC91854
    • NSC-91854
    • 10437-98-6
    • DTXSID10293744
    • Inchi： 1S/C20H14O5/c21-13(10-16(22)12-6-2-1-3-7-12)11-17(23)18-19(24)14-8-4-5-9-15(14)20(18)25/h1-9,18H,10-11H2
    • InChI Key： DOFLIVSIPPGUBF-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C1C(CC(CC(C1C=CC=CC=1)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 334.084
  • Monoisotopic Mass: 334.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 575
  • 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: 2.7
  • Topological Polar Surface Area: 85.4?2

Experimental Properties

  • Density: 1.343
  • Boiling Point: 560.8°Cat760mmHg
  • Flash Point: 244°C
  • Refractive Index: 1.614
  • PSA: 85.35000
  • LogP: 2.48310

1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl- Related Literature

10437-98-6 (1,3,5-Pentanetrione,1-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-5-phenyl-) Related Products

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