Cas no 61445-52-1 (Methanone, (3,4-dihydroxyphenyl)(2,4,5-trihydroxyphenyl)-)

Methanone, (3,4-dihydroxyphenyl)(2,4,5-trihydroxyphenyl)- structure
61445-52-1 structure
Product Name:Methanone, (3,4-dihydroxyphenyl)(2,4,5-trihydroxyphenyl)-
CAS No:61445-52-1
MF:C13H10O6
MW:262.214904308319
CID:479128
PubChem ID:19426541
Update Time:2025-04-19

Methanone, (3,4-dihydroxyphenyl)(2,4,5-trihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (3,4-dihydroxyphenyl)(2,4,5-trihydroxyphenyl)-
    • (3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone
    • 61445-52-1
    • SCHEMBL19003399
    • (3,4-Dihydroxyphenyl)(2,4,5-trihydroxyphenyl)methanone
    • DTXSID30598728
    • Inchi: 1S/C13H10O6/c14-8-2-1-6(3-10(8)16)13(19)7-4-11(17)12(18)5-9(7)15/h1-5,14-18H
    • InChI Key: SYCQOXVDSCWJNR-UHFFFAOYSA-N
    • SMILES: OC1C=C(C(=CC=1C(C1C=CC(=C(C=1)O)O)=O)O)O

Computed Properties

  • Exact Mass: 262.0477
  • Monoisotopic Mass: 262.04773803g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 333
  • 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: 1.9
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 118.22
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