Cas no 63635-39-2 (Ethanone, 1-(2,3,4,6-tetrahydroxyphenyl)-)

Ethanone, 1-(2,3,4,6-tetrahydroxyphenyl)- structure
63635-39-2 structure
Product Name:Ethanone, 1-(2,3,4,6-tetrahydroxyphenyl)-
CAS No:63635-39-2
MF:C8H8O5
MW:184.146122932434
CID:426044
PubChem ID:11008590
Update Time:2025-04-19

Ethanone, 1-(2,3,4,6-tetrahydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-(2,3,4,6-tetrahydroxyphenyl)-
    • 1-(2,3,4,6-tetrahydroxyphenyl)ethanone
    • UNTZSCLRAYBSEJ-UHFFFAOYSA-N
    • DTXSID90451668
    • SCHEMBL21061225
    • 63635-39-2
    • 2,3,4,6-tetrahydroxyacetophenone
    • methyl (2,3,4,6-tetrahydroxyphenyl) ketone
    • G63084
    • Inchi: 1S/C8H8O5/c1-3(9)6-4(10)2-5(11)7(12)8(6)13/h2,10-13H,1H3
    • InChI Key: UNTZSCLRAYBSEJ-UHFFFAOYSA-N
    • SMILES: OC1C(=C(C=C(C=1C(C)=O)O)O)O

Computed Properties

  • Exact Mass: 184.03714
  • Monoisotopic Mass: 184.03717335g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 0.7
  • Topological Polar Surface Area: 98?2

Experimental Properties

  • PSA: 97.99

Ethanone, 1-(2,3,4,6-tetrahydroxyphenyl)- Pricemore >>

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