Cas no 7255-55-2 (4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1))

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1) structure
7255-55-2 structure
Product Name:4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1)
CAS No:7255-55-2
MF:C15H10O7Zr
MW:393.459703922272
CID:566624
PubChem ID:24187083
Update Time:2025-04-19

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
    • 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1)
    • NSC-58588
    • NSC58588
    • 7255-55-2
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one--zirconium (1/1)
    • DTXSID20993405
    • Inchi： 1S/C15H10O7.Zr/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;
    • InChI Key： XNMWRUABEHVIFB-UHFFFAOYSA-N
    • SMILES： [Zr].O1C(=C(C(C2C(=CC(=CC1=2)O)O)=O)O)C1C=CC(=C(C=1)O)O

Computed Properties

  • Exact Mass: 302.0426
  • Monoisotopic Mass: 391.947
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 488
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 127A^2

Experimental Properties

  • Density: 1.799
  • Boiling Point: 642.4 °C at 760 mmHg
  • Flash Point: 248.1 °C
  • PSA: 127.45
  • LogP: 1.98800

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1) Related Literature

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