Cas no 129724-30-7 (Canthin-2,6-dione; 4-Methoxy, 5-hydroxy, N3-Me)

Canthin-2,6-dione; 4-Methoxy, 5-hydroxy, N3-Me structure
129724-30-7 structure
Product Name:Canthin-2,6-dione; 4-Methoxy, 5-hydroxy, N3-Me
CAS No:129724-30-7
MF:C16H12N2O4
MW:296.277483940125
CID:6646718
PubChem ID:118728713
Update Time:2024-03-02

Canthin-2,6-dione; 4-Methoxy, 5-hydroxy, N3-Me Chemical and Physical Properties

Names and Identifiers

    • Canthin-2,6-dione; 4-Methoxy, 5-hydroxy, N3-Me
    • Inchi: 1S/C16H12N2O4/c1-17-11(19)7-9-8-5-3-4-6-10(8)18-12(9)13(17)15(22-2)14(20)16(18)21/h3-7,20H,1-2H3
    • InChI Key: CQFOPDQAOBCODL-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C(N2C3C=CC=CC=3C3=CC(N(C)C1=C23)=O)=O)O

Computed Properties

  • Exact Mass: 296.07970687g/mol
  • Monoisotopic Mass: 296.07970687g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 688
  • 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: 0.1
  • Topological Polar Surface Area: 70.1?2
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