Cas no 114567-38-3 (4H-1-Benzopyran-4-one,3,5,6,7-tetrahydroxy-8-methyl-2-phenyl-)

4H-1-Benzopyran-4-one,3,5,6,7-tetrahydroxy-8-methyl-2-phenyl- structure
114567-38-3 structure
Product Name:4H-1-Benzopyran-4-one,3,5,6,7-tetrahydroxy-8-methyl-2-phenyl-
CAS No:114567-38-3
MF:C16H12O6
MW:300.262885093689
CID:173791
Update Time:2024-03-01

4H-1-Benzopyran-4-one,3,5,6,7-tetrahydroxy-8-methyl-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,3,5,6,7-tetrahydroxy-8-methyl-2-phenyl-
    • Isoplatanin
    • 4H-1-Benzopyran-4-one, 3,5,6,7-tetrahydroxy-8-methyl-2-phenyl-
    • Inchi： 1S/C16H12O6/c1-7-10(17)13(20)11(18)9-12(19)14(21)16(22-15(7)9)8-5-3-2-4-6-8/h2-6,17-18,20-21H,1H3
    • InChI Key： RQBAJFCXGFVZFU-UHFFFAOYSA-N
    • SMILES： C1(C2=CC=CC=C2)OC2=C(C)C(O)=C(O)C(O)=C2C(=O)C=1O

Computed Properties

  • Exact Mass: 300.06336
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • XLogP3: 2.89

Experimental Properties

  • Density: 1.615±0.06 g/cm3(Predicted)
  • Boiling Point: 610.6±55.0 °C(Predicted)
  • PSA: 107.22
  • pka: 6.45±0.40(Predicted)

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