Cas no 25357-91-9 (9,10-Anthracenedione, 1,5-dihydroxy-2,6-bis(hydroxymethyl)-)

9,10-Anthracenedione, 1,5-dihydroxy-2,6-bis(hydroxymethyl)- structure
25357-91-9 structure
Product Name:9,10-Anthracenedione, 1,5-dihydroxy-2,6-bis(hydroxymethyl)-
CAS No:25357-91-9
MF:C16H12O6
MW:300.262885093689
CID:1425326
PubChem ID:15620928
Update Time:2025-04-20

9,10-Anthracenedione, 1,5-dihydroxy-2,6-bis(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione, 1,5-dihydroxy-2,6-bis(hydroxymethyl)-
    • 1,5-dihydroxy-2,6-bis(hydroxymethyl)anthracene-9,10-dione
    • DTXSID80575903
    • SCHEMBL11299000
    • 25357-91-9
    • Inchi: 1S/C16H12O6/c17-5-7-1-3-9-11(13(7)19)16(22)10-4-2-8(6-18)14(20)12(10)15(9)21/h1-4,17-20H,5-6H2
    • InChI Key: SCBDSCFSYIFNAB-UHFFFAOYSA-N
    • SMILES: OC1=C(CO)C=CC2C(C3C(=C(CO)C=CC=3C(C=21)=O)O)=O

Computed Properties

  • Exact Mass: 300.06336
  • Monoisotopic Mass: 300.06338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 422
  • 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: 1.5
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • PSA: 115.06

9,10-Anthracenedione, 1,5-dihydroxy-2,6-bis(hydroxymethyl)- Related Literature

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