Cas no 22582-76-9 (9-Anthracenesulfonic acid)

9-Anthracenesulfonic acid structure
9-Anthracenesulfonic acid structure
Product Name:9-Anthracenesulfonic acid
CAS No:22582-76-9
MF:C14H10O3S
MW:258.292402744293
CID:1410682
PubChem ID:7730319
Update Time:2025-04-20

9-Anthracenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 9-Anthracenesulfonic acid
    • anthracene-9-sulfonic acid
    • 22582-76-9
    • SCHEMBL392930
    • Anthracen-9-sulfonsaure
    • DTXSID30428894
    • Inchi: 1S/C14H10O3S/c15-18(16,17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,15,16,17)
    • InChI Key: SKLLBGQUBYTKMR-UHFFFAOYSA-N
    • SMILES: S(C1C2C=CC=CC=2C=C2C=CC=CC=12)(=O)(=O)O

Computed Properties

  • Exact Mass: 258.0351
  • Monoisotopic Mass: 258.03506535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 376
  • 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: 3.3
  • Topological Polar Surface Area: 62.8?2

Experimental Properties

  • PSA: 54.37
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