Cas no 316819-88-2 (Ethanone,1-(2,3,5-trihydroxyphenyl)-)

Ethanone,1-(2,3,5-trihydroxyphenyl)- structure
316819-88-2 structure
Product Name:Ethanone,1-(2,3,5-trihydroxyphenyl)-
CAS No:316819-88-2
MF:C8H8O4
MW:168.146722793579
CID:301177
PubChem ID:11622395
Update Time:2025-04-19

Ethanone,1-(2,3,5-trihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(2,3,5-trihydroxyphenyl)-
    • 2,3,5-Trihydroxyacetophenone
    • Acetophenone,2,3,5-trihydroxy- (3CI)
    • SCHEMBL2978776
    • 316819-88-2
    • 1-(2,3,5-trihydroxyphenyl)ethan-1-one
    • Ethanone, 1-(2,3,5-trihydroxyphenyl)-
    • DB-275895
    • Inchi: 1S/C8H8O4/c1-4(9)6-2-5(10)3-7(11)8(6)12/h2-3,10-12H,1H3
    • InChI Key: RKBOJPBPBSRYRN-UHFFFAOYSA-N
    • SMILES: OC1C(=CC(=CC=1C(C)=O)O)O

Computed Properties

  • Exact Mass: 168.04224
  • Monoisotopic Mass: 168.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 180
  • 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: 1.1
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.76
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