Cas no 54337-59-6 (1-(3-ethyl-2,6-dihydroxyphenyl)ethan-1-one)

1-(3-ethyl-2,6-dihydroxyphenyl)ethan-1-one structure
54337-59-6 structure
Product Name:1-(3-ethyl-2,6-dihydroxyphenyl)ethan-1-one
CAS No:54337-59-6
MF:C10H12O3
MW:180.200483322144
CID:940746
PubChem ID:2775143
Update Time:2025-04-19

1-(3-ethyl-2,6-dihydroxyphenyl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(3-ethyl-2,6-dihydroxyphenyl)ethan-1-one
    • 1-(3-Ethyl-2,6-dihydroxyphenyl)ethanone
    • 1-(3-Aethyl-2,6-dihydroxy-phenyl)-aethanon
    • 1-(3-ethyl-2,6-dihydroxy-phenyl)-ethanone
    • 2,6-dihydroxy-3-ethylacetophenone
    • 2,6-dihydroxy-3-ethyl-acetophenone
    • 2-acetyl-4-ethylresorcinol
    • 3'-ethyl-2',6'-dihydroxyacetophenone
    • 3-ethyl-2,6-dihydroxyacetophenone
    • AC1MCQ0H
    • AG-F-88199
    • BTB09945
    • CTK5A0542
    • SureCN3185583
    • CHEMBL3274343
    • DTXSID70379412
    • SCHEMBL3185583
    • 54337-59-6
    • DB-126540
    • Inchi: 1S/C10H12O3/c1-3-7-4-5-8(12)9(6(2)11)10(7)13/h4-5,12-13H,3H2,1-2H3
    • InChI Key: SIPMOJWONWOACW-UHFFFAOYSA-N
    • SMILES: OC1C(C(C)=O)=C(C=CC=1CC)O

Computed Properties

  • Exact Mass: 180.078644241g/mol
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 2.2
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Melting Point: 129.5 °C
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