Cas no 55317-02-7 (Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)-)

Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)- structure
55317-02-7 structure
Product Name:Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)-
CAS No:55317-02-7
MF:C9H10O5
MW:198.172703266144
CID:352242
PubChem ID:643400
Update Time:2025-04-19

Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)-
    • 2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
    • 2',4',6'-trihydroxy-1-methoxyacetophenone
    • 2',4',6'-trihydroxy-2-methoxyacetophenone
    • 2-Methoxy-1-(2,4,6-trihydroxy-phenyl)-aethanon
    • 2-methoxy-1-(2,4,6-trihydroxyphenyl)ethan-1-one
    • ethanone,2-methoxy-1-(2,4,6-trihydroxyphenyl)
    • WS-02545
    • DTXSID30349171
    • SCHEMBL1861257
    • D85739
    • FYRXXSCCOWRCLX-UHFFFAOYSA-N
    • InChI=1/C9H10O5/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,10-12H,4H2,1H
    • 55317-02-7
    • AKOS006277284
    • alpha-Methoxyphloroacetophenone, AldrichCPR
    • CS-0436810
    • 2-methoxy-1-(2,4,6-trihydroxyphenyl) ethanone
    • A830587
    • AMY5860
    • MFCD03788946
    • AQ-358/40710279
    • 2-methoxy-1-[2,4,6-tris(oxidanyl)phenyl]ethanone
    • 1-(2,4,6-trihydroxyphenyl)-2-methoxyethanone
    • Inchi: 1S/C9H10O5/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,10-12H,4H2,1H3
    • InChI Key: FYRXXSCCOWRCLX-UHFFFAOYSA-N
    • SMILES: O(C)CC(C1C(=CC(=CC=1O)O)O)=O

Computed Properties

  • Exact Mass: 198.05300
  • Monoisotopic Mass: 198.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 87?2

Experimental Properties

  • PSA: 86.99000
  • LogP: 0.63250

Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)- Security Information

  • Hazard Category Code: 36
  • Safety Instruction: 26

Ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)- Pricemore >>

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