Cas no 74174-31-5 (Haginin B)

Haginin B structure
Haginin B structure
Product Name:Haginin B
CAS No:74174-31-5
MF:C16H14O4
MW:270.279964923859
CID:2017059
PubChem ID:14077816
Update Time:2025-04-21

Haginin B Chemical and Physical Properties

Names and Identifiers

    • Haginin B
    • 7,4'-Dihydroxy-2'-methoxyisoflavene
    • 3-(4-hydroxy-2-methoxyphenyl)-2H-chromen-7-ol
    • 74174-31-5
    • LMPK12080063
    • Inchi: 1S/C16H14O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-8,17-18H,9H2,1H3
    • InChI Key: RMENXIMFGIVCHR-UHFFFAOYSA-N
    • SMILES: COC1C(C2COC3C(=CC=C(C=3)O)C=2)=CC=C(O)C=1

Computed Properties

  • Exact Mass: 270.08920892Da
  • Monoisotopic Mass: 270.08920892Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 367
  • 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: 1.619
  • Topological Polar Surface Area: 58.9?2
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