Cas no 924901-48-4 (3-Heptanone, 5-hydroxy-1,7-bis(3-hydroxy-4-methoxyphenyl)-)

3-Heptanone, 5-hydroxy-1,7-bis(3-hydroxy-4-methoxyphenyl)- structure
924901-48-4 structure
Product Name:3-Heptanone, 5-hydroxy-1,7-bis(3-hydroxy-4-methoxyphenyl)-
CAS No:924901-48-4
MF:C21H26O6
MW:374.427546977997
CID:736061
PubChem ID:71445494
Update Time:2025-04-19

3-Heptanone, 5-hydroxy-1,7-bis(3-hydroxy-4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-Heptanone, 5-hydroxy-1,7-bis(3-hydroxy-4-methoxyphenyl)-
    • 5-hydroxy-1,7-bis(3-hydroxy-4-methoxyphenyl)heptan-3-one
    • DTXSID80854028
    • 924901-48-4
    • Inchi: 1S/C21H26O6/c1-26-20-9-5-14(11-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-21(27-2)19(25)12-15/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3
    • InChI Key: WYXGLTMKAWCXLG-UHFFFAOYSA-N
    • SMILES: OC(CC(CCC1C=CC(=C(C=1)O)OC)=O)CCC1C=CC(=C(C=1)O)OC

Computed Properties

  • Exact Mass: 374.17293854g/mol
  • Monoisotopic Mass: 374.17293854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 10
  • Complexity: 442
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 96.2?2
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