Cas no 10472-94-3 (1-phenyl-3-pyridin-2-ylpropane-1,3-dione)

1-phenyl-3-pyridin-2-ylpropane-1,3-dione structure
10472-94-3 structure
Product Name:1-phenyl-3-pyridin-2-ylpropane-1,3-dione
CAS No:10472-94-3
MF:C14H11NO2
MW:225.242643594742
CID:1149201
PubChem ID:238448
Update Time:2025-04-20

1-phenyl-3-pyridin-2-ylpropane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-phenyl-3-pyridin-2-ylpropane-1,3-dione
    • AC1L610H
    • 1-phenyl-3-(pyridin-2-yl)propane-1,3-dione
    • AR-1C5244
    • 1-phenyl-3-(2-pyridyl) propane-1,3-dione
    • 1-phenyl-3-(2-pyridyl)-1,3-propandione
    • AC1Q5FZZ
    • MLS002608458
    • NSC42794
    • CTK4A3266
    • HMS3078C12
    • 3-hydroxy-1-phenyl-3-(pyrid-2-yl)prop-2-ene-1-one
    • 1-phenyl-3-(pyridyn-2-yl)propane-1,3-dione
    • 1-phenyl-3-(2-pyridyl)propane-1,3-dione
    • 1-phenyl-3-pyridin-2-yl-propane-1,3-dione
    • SureCN4625845
    • 1-Phenyl-3-(2-pyridyl)-1,3-propanedione
    • AC1L610H; 1-phenyl-3-(pyridin-2-yl)propane-1,3-dione; AR-1C5244; 1-phenyl-3-(2-pyridyl) propane-1,3-dione; 1-phenyl-3-(2-pyridyl)-1,3-propandione; AC1Q5FZZ; MLS002608458; NSC42794; CTK4A3266; HMS3078C12; 3-hydroxy-1-phenyl-3-(pyrid-2-yl)prop-2-ene-1-one; 1-phenyl-3-(pyridyn-2-yl)propane-1,3-dione; 1-phenyl-3-(2-pyridyl)propane-1,3-dione; 1-phenyl-3-pyridin-2-yl-propane-1,3-dione; SureCN4625845; 1-Phenyl-3-(2-pyridyl)-1,3-propanedione;
    • SCHEMBL4625845
    • NSC-42794
    • CHEMBL1717454
    • DA-15981
    • 10472-94-3
    • SMR001527206
    • YUHLPAVLOLEXJK-UHFFFAOYSA-N
    • NSC 42794
    • DTXSID20285791
    • Inchi: 1S/C14H11NO2/c16-13(11-6-2-1-3-7-11)10-14(17)12-8-4-5-9-15-12/h1-9H,10H2
    • InChI Key: YUHLPAVLOLEXJK-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)CC(C1C=CC=CN=1)=O

Computed Properties

  • Exact Mass: 225.07903
  • Monoisotopic Mass: 225.078979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 282
  • 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: 1.7
  • Topological Polar Surface Area: 47

Experimental Properties

  • Density: 1.184
  • Boiling Point: 403.5°C at 760 mmHg
  • Flash Point: 200.1°C
  • Refractive Index: 1.587
  • PSA: 47.03
  • LogP: 2.53730
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