Cas no 17822-36-5 (1,3,5-Pentanetrione, 1-phenyl-5-(2-pyridinyl)-)

1,3,5-Pentanetrione, 1-phenyl-5-(2-pyridinyl)- structure
17822-36-5 structure
Product Name:1,3,5-Pentanetrione, 1-phenyl-5-(2-pyridinyl)-
CAS No:17822-36-5
MF:C16H13NO3
MW:267.279324293137
CID:1366598
Update Time:2024-08-16

1,3,5-Pentanetrione, 1-phenyl-5-(2-pyridinyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Pentanetrione, 1-phenyl-5-(2-pyridinyl)-
    • Inchi: 1S/C16H13NO3/c18-13(10-15(19)12-6-2-1-3-7-12)11-16(20)14-8-4-5-9-17-14/h1-9H,10-11H2
    • InChI Key: ASRINSIFAZGVOD-UHFFFAOYSA-N
    • SMILES: C(C1=CC=CC=C1)(=O)CC(=O)CC(C1=NC=CC=C1)=O

Computed Properties

  • Exact Mass: 267.08959

Experimental Properties

  • Density: 1.213±0.06 g/cm3(Predicted)
  • Boiling Point: 432.3±25.0 °C(Predicted)
  • PSA: 64.1
  • pka: 7.60±0.46(Predicted)
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