Cas no 15100-52-4 (1-Anthracenesulfonic acid)

1-Anthracenesulfonic acid structure
1-Anthracenesulfonic acid structure
Product Name:1-Anthracenesulfonic acid
CAS No:15100-52-4
MF:C14H10O3S
MW:258.292402744293
CID:96508
PubChem ID:5077994
Update Time:2025-04-18

1-Anthracenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Anthracenesulfonic acid
    • anthracene-1-sulfonic acid
    • DTXSID60408109
    • SCHEMBL155232
    • 15100-52-4
    • Anthracenesulfonic acid
    • Inchi: 1S/C14H10O3S/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,(H,15,16,17)
    • InChI Key: ILFFFKFZHRGICY-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C2C=C3C=CC=CC3=CC2=1)(=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: 398
  • 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: 3.2
  • Topological Polar Surface Area: 62.8?2

Experimental Properties

  • PSA: 54.37
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