Cas no 6937-76-4 (2,6-Anthracenedisulfonicacid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2))

2,6-Anthracenedisulfonicacid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2) structure
6937-76-4 structure
Product Name:2,6-Anthracenedisulfonicacid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2)
CAS No:6937-76-4
MF:C14H8O10S2
MW:400.337322235107
CID:523867
PubChem ID:412447
Update Time:2025-04-19

2,6-Anthracenedisulfonicacid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2) Chemical and Physical Properties

Names and Identifiers

    • 2,6-Anthracenedisulfonicacid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2)
    • 1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
    • DTXSID60219459
    • 6492-85-9
    • NSC39933
    • 1,5-dihydroxy-9,10-dioxo-anthracene-2,6-disulfonic acid
    • 1,5-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,6-DISULFONIC ACID
    • CBDivE_010922
    • AKOS000592466
    • 1,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2,6-anthracenedisulfonic acid
    • 1,5-dihydroxy-9,10-anthraquinone-2,6-disulfonic acid
    • 6937-76-4
    • SCHEMBL6905576
    • NSC 39933
    • 2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-
    • Inchi: 1S/C14H8O10S2/c15-11-5-1-3-7(25(19,20)21)13(17)9(5)12(16)6-2-4-8(26(22,23)24)14(18)10(6)11/h1-4,17-18H,(H,19,20,21)(H,22,23,24)
    • InChI Key: AWVNGKBCZDBCJB-UHFFFAOYSA-N
    • SMILES: S(C1C=CC2C(C3C(=C(C=CC=3C(C=2C=1O)=O)S(=O)(=O)O)O)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 399.95584
  • Monoisotopic Mass: 399.956
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 751
  • 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: 0.8
  • Topological Polar Surface Area: 200?2

Experimental Properties

  • Density: 1.987
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.756
  • PSA: 183.34
  • LogP: 2.52820
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