Cas no 15100-53-5 (2-Anthracenesulfonicacid)

2-Anthracenesulfonicacid structure
2-Anthracenesulfonicacid structure
Product Name:2-Anthracenesulfonicacid
CAS No:15100-53-5
MF:C14H10O3S
MW:258.292402744293
CID:212529
PubChem ID:3014880
Update Time:2025-04-19

2-Anthracenesulfonicacid Chemical and Physical Properties

Names and Identifiers

    • 2-Anthracenesulfonicacid
    • anthracene-2-sulfonic acid
    • 2-Anthracenesulfonic acid
    • SCHEMBL1394734
    • 15100-53-5
    • DTXSID30164689
    • Inchi: 1S/C14H10O3S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,(H,15,16,17)
    • InChI Key: IPQGOTUZADECCY-UHFFFAOYSA-N
    • SMILES: S(C1C=CC2=CC3C=CC=CC=3C=C2C=1)(=O)(=O)O

Computed Properties

  • Exact Mass: 258.0351
  • Monoisotopic Mass: 258.035065
  • 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: 1.9
  • Topological Polar Surface Area: 62.8

Experimental Properties

  • Density: 1.431
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.732
  • PSA: 54.37
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