Cas no 54785-18-1 ((3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate)

(3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate structure
54785-18-1 structure
Product Name:(3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate
CAS No:54785-18-1
MF:C25H19NO8
MW:461.420267343521
CID:942833
PubChem ID:301457
Update Time:2025-04-19

(3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate Chemical and Physical Properties

Names and Identifiers

    • (3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate
    • 2,3,8,9-tetraacetoxy-benzo[c]phenanthridine
    • 2,3,8,9-Tetraacetoxybenzo< c> phenanthridin
    • AC1L6YGQ
    • benzo[c]phenanthridine-2,3,8,9-tetrayl tetraacetate
    • NSC179201
    • DTXSID40306674
    • 54785-18-1
    • NSC-179201
    • Inchi: 1S/C25H19NO8/c1-12(27)31-21-7-16-5-6-18-19-9-23(33-14(3)29)22(32-13(2)28)8-17(19)11-26-25(18)20(16)10-24(21)34-15(4)30/h5-11H,1-4H3
    • InChI Key: PSZGYLBXZNOKSU-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1C(=CC2C=CC3=C4C=C(C(=CC4=CN=C3C=2C=1)OC(C)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 461.11107
  • Monoisotopic Mass: 461.11106656g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 815
  • 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: 3.7
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 118.09
  • LogP: 4.24240
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