Cas no 51145-79-0 (4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy-)

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy- structure
51145-79-0 structure
Product Name:4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy-
CAS No:51145-79-0
MF:C18H16O7
MW:344.315445899963
CID:363129
PubChem ID:9967964
Update Time:2025-04-19

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy-
    • 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxychromen-4-one
    • SCHEMBL7127301
    • BDBM50025287
    • CHEMBL73016
    • LMPK12111246
    • DTXSID60433471
    • 51145-79-0
    • 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one
    • 2-(3,4-Dihydroxy-phenyl)-5,6,7-trimethoxy-chromen-4-one
    • 3',4'-Dihydroxy-5,6,7-trimethoxyflavone
    • 2-(3,4-Dihydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
    • Inchi： 1S/C18H16O7/c1-22-15-8-14-16(18(24-3)17(15)23-2)12(21)7-13(25-14)9-4-5-10(19)11(20)6-9/h4-8,19-20H,1-3H3
    • InChI Key： UJEJKGCTUWVBRI-UHFFFAOYSA-N
    • SMILES： O1C(C2C=CC(=C(C=2)O)O)=CC(C2C(=C(C(=CC1=2)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 344.08958
  • Monoisotopic Mass: 344.08960285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 520
  • 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: 2.4
  • Topological Polar Surface Area: 94.4?2

Experimental Properties

  • PSA: 94.45

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy- Related Literature

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