Cas no 1469-95-0 (1,3,5-Hexanetrione,1-phenyl-)

1,3,5-Hexanetrione,1-phenyl- structure
1,3,5-Hexanetrione,1-phenyl- structure
Product Name:1,3,5-Hexanetrione,1-phenyl-
CAS No:1469-95-0
MF:C12H12O3
MW:204.221883773804
MDL:MFCD00839524
CID:202937
PubChem ID:237441
Update Time:2025-04-19

1,3,5-Hexanetrione,1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Hexanetrione,1-phenyl-
    • 1-phenylhexane-1,3,5-trione
    • 1,3,5-Hexanetrione-1-phenyl
    • 1-phenyl-1,3,5-hexanetrione
    • 1-Phenyl-1,3,5-hexantrion
    • 1-Phenyl-hexan-1,3,5-trion
    • 1-phenyl-hexane-1,3,5-trione
    • 2-phenyl-1,3,5-hexanetrione
    • AC1L5YSW
    • AC1Q5F1F
    • Benzoylacetylacetone
    • NSC40937
    • SureCN3071016
    • W16182
    • PWYYHTLZMQHPLP-UHFFFAOYSA-N
    • 1,3,5-Hexanetrione, 1-phenyl-
    • DTXSID80285196
    • CS-0186363
    • AS-59881
    • 1-Phenyl-1,3,5-hexanetrione #
    • 1469-95-0
    • NSC-40937
    • AKOS015970448
    • SCHEMBL3071016
    • AE-848/30748018
    • MDL: MFCD00839524
    • Inchi: 1S/C12H12O3/c1-9(13)7-11(14)8-12(15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
    • InChI Key: PWYYHTLZMQHPLP-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)=O)CC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 204.07866
  • Monoisotopic Mass: 204.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 262
  • 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: 1.3
  • Topological Polar Surface Area: 51.2?2

Experimental Properties

  • Density: 1.126
  • Boiling Point: 333.1°Cat760mmHg
  • Flash Point: 141.2°C
  • Refractive Index: 1.517
  • PSA: 51.21
  • LogP: 1.80760

1,3,5-Hexanetrione,1-phenyl- Pricemore >>

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