Cas no 111154-44-0 ([1,3]Dioxolo[4,5]benzo[1,2-c]phenanthridin-13(12H)-one,3-hydroxy-2-methoxy-12-methyl-)

[1,3]Dioxolo[4,5]benzo[1,2-c]phenanthridin-13(12H)-one,3-hydroxy-2-methoxy-12-methyl- structure
111154-44-0 structure
Product Name:[1,3]Dioxolo[4,5]benzo[1,2-c]phenanthridin-13(12H)-one,3-hydroxy-2-methoxy-12-methyl-
CAS No:111154-44-0
MF:C20H15NO5
MW:349.336805582047
CID:232829
Update Time:2024-03-01

[1,3]Dioxolo[4,5]benzo[1,2-c]phenanthridin-13(12H)-one,3-hydroxy-2-methoxy-12-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,3]Dioxolo[4,5]benzo[1,2-c]phenanthridin-13(12H)-one,3-hydroxy-2-methoxy-12-methyl-
    • [1,3]Benzodioxolo[5,6-c]phenanthridin-13(12H)-one,3-hydroxy-2-methoxy-12-methyl- (9CI)
    • Oxoisoterihanine
    • Oxyisoterihanine
    • [1,3]Benzodioxolo[5,6-c]phenanthridin-13(12H)-one, 3-hydroxy-2-methoxy-12-methyl-
    • Inchi: 1S/C20H15NO5/c1-21-19-11(13-6-15(22)16(24-2)8-14(13)20(21)23)4-3-10-5-17-18(7-12(10)19)26-9-25-17/h3-8,22H,9H2,1-2H3
    • InChI Key: WTJIAZWJBWJFEY-UHFFFAOYSA-N
    • SMILES: C1=C2C(N(C)C(=O)C3=C2C=C(O)C(OC)=C3)=C2C=C3OCOC3=CC2=C1

Computed Properties

  • Exact Mass: 349.09505

Experimental Properties

  • Density: 1.447±0.06 g/cm3(Predicted)
  • Melting Point: 299.8-302.0 °C
  • Boiling Point: 648.9±55.0 °C(Predicted)
  • PSA: 68.23
  • pka: 7.43±0.20(Predicted)
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