Cas no 74815-59-1 (9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl-)

9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl- structure
74815-59-1 structure
Product Name:9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl-
CAS No:74815-59-1
MF:C16H12O6
MW:300.262885093689
CID:571280
PubChem ID:189825
Update Time:2025-04-19

9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl-
    • 1,4,7-trihydroxy-5-methoxy-2-methylanthracene-9,10-dione
    • rubrocristin
    • SCHEMBL16226946
    • 74815-59-1
    • DTXSID90225785
    • 2-methyl-1,4,7-trihydroxy-5-methoxy-anthraquinone
    • Inchi: 1S/C16H12O6/c1-6-3-9(18)12-13(14(6)19)15(20)8-4-7(17)5-10(22-2)11(8)16(12)21/h3-5,17-19H,1-2H3
    • InChI Key: XZDDKPVQCXULQZ-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(=CC2C(C3C(=C(C)C=C(C=3C(C=21)=O)O)O)=O)O

Computed Properties

  • Exact Mass: 300.06336
  • Monoisotopic Mass: 300.06338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 477
  • 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
  • Surface Charge: 0
  • Tautomer Count: 162
  • XLogP3: 3.2
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.06
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