Cas no 7507-98-4 (1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone)

1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone structure
7507-98-4 structure
Product Name:1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone
CAS No:7507-98-4
MF:C11H14O5
MW:226.225863933563
CID:981269
PubChem ID:344492
Update Time:2025-04-19

1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone
    • 1-(2-Hydroxy-3,4,6-trimethoxy-phenyl)-aethanon
    • 1-(2-hydroxy-3,4,6-trimethoxy-phenyl)ethanone
    • 1-(2-hydroxy-3,4,6-trimethoxy-phenyl)-ethanone
    • 1-(6-Hydroxy-2,4,5-trimethoxy-phenyl)-aethanon-(1)
    • 2'-hydroxy-3',4',5'-trimethoxyacetophenone
    • 2'-hydroxy-3',4',6'-trimethoxyacetophenone
    • 2-hydroxy-3,4,6-trimethoxy-acetophenone
    • 2-Hydroxy-3,4,6-trimethoxyacetophenone
    • 2-hydroxyl-3,4,6-trimethoxy-acetophenone
    • AC1L80OB
    • CTK2H8702
    • NSC401455
    • NSC-401455
    • 7507-98-4
    • 1-(2-Hydroxy-3,4,6-trimethoxyphenyl)ethan-1-one
    • DTXSID20322514
    • SCHEMBL679428
    • AKOS022655679
    • Inchi: 1S/C11H14O5/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3
    • InChI Key: WLTFZNFPHXCIAO-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=C(C=1C(C)=O)O)OC)OC

Computed Properties

  • Exact Mass: 226.08412
  • Monoisotopic Mass: 226.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 243
  • 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: 1.7
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • Density: 1.181
  • Boiling Point: 365.3°C at 760 mmHg
  • Flash Point: 140.1°C
  • Refractive Index: 1.52
  • PSA: 64.99
  • LogP: 1.62060
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