Cas no 40061-31-2 (1,2-Ethanedione,1-(4-methylphenyl)-2-(3-pyridinyl)-)

1,2-Ethanedione,1-(4-methylphenyl)-2-(3-pyridinyl)- structure
40061-31-2 structure
Product Name:1,2-Ethanedione,1-(4-methylphenyl)-2-(3-pyridinyl)-
CAS No:40061-31-2
MF:C14H11NO2
MW:225.242643594742
CID:326515
PubChem ID:11586625
Update Time:2025-04-19

1,2-Ethanedione,1-(4-methylphenyl)-2-(3-pyridinyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanedione,1-(4-methylphenyl)-2-(3-pyridinyl)-
    • 1-(4-methylphenyl)-2-pyridin-3-ylethane-1,2-dione
    • 1-PYRIDIN-3-YL-2-P-TOLYL-ETHANE-1,2-DIONE
    • 1-(p-Tolyl)-2-(3-pyridyl)-glyoxal
    • 1-(pyridin-3-yl)-2-p-tolyl-ethane-1,2-dione
    • 1-Pyridin-3-yl-2-p-tolyl-ethane-1,2
    • AB49366
    • AC-20885
    • AGN-PC-00C4UQ
    • -dione
    • Ethanedione, (4-methylphenyl)-3-pyridinyl-
    • 40061-31-2
    • SCHEMBL11815240
    • AKOS015965904
    • DTXSID50468999
    • Inchi: 1S/C14H11NO2/c1-10-4-6-11(7-5-10)13(16)14(17)12-3-2-8-15-9-12/h2-9H,1H3
    • InChI Key: NBCBJEXDJGFDKO-UHFFFAOYSA-N
    • SMILES: O=C(C(C1C=NC=CC=1)=O)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 225.078978594g/mol
  • Monoisotopic Mass: 225.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 293
  • 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: 2.2
  • Topological Polar Surface Area: 47?2

Experimental Properties

  • Density: 1.186
  • Boiling Point: 397.86°C at 760 mmHg
  • Flash Point: 196.955°C
  • Refractive Index: 1.591
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