Cas no 642471-55-4 (Phosphonic acid, 2-anthracenyl-)

Phosphonic acid, 2-anthracenyl- structure
642471-55-4 structure
Product Name:Phosphonic acid, 2-anthracenyl-
CAS No:642471-55-4
MF:C14H11O3P
MW:258.209104776382
CID:424447
PubChem ID:15930789
Update Time:2025-04-19

Phosphonic acid, 2-anthracenyl- Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, 2-anthracenyl-
    • anthracen-2-ylphosphonic acid
    • 642471-55-4
    • SCHEMBL939524
    • DTXSID70579738
    • Inchi： 1S/C14H11O3P/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,(H2,15,16,17)
    • InChI Key： OAYLPOCENNOSBF-UHFFFAOYSA-N
    • SMILES： P(C1C=CC2=CC3C=CC=CC=3C=C2C=1)(=O)(O)O

Computed Properties

  • Exact Mass: 258.04463
  • Monoisotopic Mass: 258.04458121g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 351
  • 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: 2.5
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
  • LogP: 2.79600

Phosphonic acid, 2-anthracenyl- Related Literature

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