Cas no 20759-59-5 (2H-1-Benzopyran-3-acetic acid, 6,7-dihydroxy-2-oxo-)

2H-1-Benzopyran-3-acetic acid, 6,7-dihydroxy-2-oxo- structure
20759-59-5 structure
Product Name:2H-1-Benzopyran-3-acetic acid, 6,7-dihydroxy-2-oxo-
CAS No:20759-59-5
MF:C11H8O6
MW:236.177623748779
CID:1395763
Update Time:2024-08-15

2H-1-Benzopyran-3-acetic acid, 6,7-dihydroxy-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-3-acetic acid, 6,7-dihydroxy-2-oxo-
    • Inchi: 1S/C11H8O6/c12-7-2-5-1-6(3-10(14)15)11(16)17-9(5)4-8(7)13/h1-2,4,12-13H,3H2,(H,14,15)
    • InChI Key: BGFWNEQCWRXRFO-UHFFFAOYSA-N
    • SMILES: C1(=O)OC2=CC(O)=C(O)C=C2C=C1CC(O)=O

Computed Properties

  • Exact Mass: 236.03204

Experimental Properties

  • Density: 1.638±0.06 g/cm3(Predicted)
  • Boiling Point: 602.7±55.0 °C(Predicted)
  • PSA: 104.06
  • pka: 3.77±0.10(Predicted)

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