Cas no 88191-19-9 (2-Propen-1-one, 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-, (E)-)

2-Propen-1-one, 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-, (E)- structure
88191-19-9 structure
Product Name:2-Propen-1-one, 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-, (E)-
CAS No:88191-19-9
MF:C15H12O5
MW:272.252784729004
CID:641600
PubChem ID:53484158
Update Time:2025-04-19

2-Propen-1-one, 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-one, 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-, (E)-
    • 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • (2E)-3-(2,3-Dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-2-propen-1-one
    • CHEMBL2180475
    • (E)-1-(2,4-dihydroxyphenyl)-3-(2,3-dihydroxyphenyl)-2-propen-1-one (17)
    • 2,3,2',4'-TETRAHYDROXYCHALCONE
    • BDBM235642
    • (E)-3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • 206194-35-6
    • 88191-19-9
    • Inchi： 1S/C15H12O5/c16-10-5-6-11(14(19)8-10)12(17)7-4-9-2-1-3-13(18)15(9)20/h1-8,16,18-20H/b7-4+
    • InChI Key： IUKUGGBBLOTFNV-QPJJXVBHSA-N
    • SMILES： OC1C(=CC=CC=1/C=C/C(C1C=CC(=CC=1O)O)=O)O

Computed Properties

  • Exact Mass: 272.06847348g/mol
  • Monoisotopic Mass: 272.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 367
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 98?2

2-Propen-1-one, 3-(2,3-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)-, (E)- Related Literature

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