Cas no 167105-92-2 (2H-1-Benzopyran-2-one,6,8-dihydroxy-5,7-dimethoxy-)

2H-1-Benzopyran-2-one,6,8-dihydroxy-5,7-dimethoxy- structure
167105-92-2 structure
Product Name:2H-1-Benzopyran-2-one,6,8-dihydroxy-5,7-dimethoxy-
CAS No:167105-92-2
MF:C11H10O6
MW:238.193503856659
CID:167578
PubChem ID:3025904
Update Time:2025-04-19

2H-1-Benzopyran-2-one,6,8-dihydroxy-5,7-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-2-one,6,8-dihydroxy-5,7-dimethoxy-
    • 6,8-dihydroxy-5,7-dimethoxychromen-2-one
    • 6,8-dihydroxy-5,7-dimethoxy-2H-chromen-2-one
    • 6,8-Dihydroxy-5,7-dimethoxycoumarin
    • 6,8-dihydroxy-5,7-dimethoxy-chromen-2-one
    • SCHEMBL17047860
    • 2H-1-Benzopyran-2-one, 6,8-dihydroxy-5,7-dimethoxy-
    • DTXSID00168230
    • 167105-92-2
    • 6,8-Dihydroxy-5,7-dimethoxy-2H-1-benzopyran-2-one
    • XJK9N6VD7H
    • Inchi： 1S/C11H10O6/c1-15-9-5-3-4-6(12)17-10(5)8(14)11(16-2)7(9)13/h3-4,13-14H,1-2H3
    • InChI Key： AXXSKWGVOIJTGN-UHFFFAOYSA-N
    • SMILES： O1C(C=CC2C(=C(C(=C(C1=2)O)OC)O)OC)=O

Computed Properties

  • Exact Mass: 238.0477
  • Monoisotopic Mass: 238.04773803g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 328
  • 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
  • Surface Charge: 0
  • Tautomer Count: 9
  • XLogP3: 1.1
  • Topological Polar Surface Area: 85.2?2

Experimental Properties

  • PSA: 85.22

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