Cas no 496839-55-5 (Boronic acid, 4-pyrenyl-)

Boronic acid, 4-pyrenyl- structure
Boronic acid, 4-pyrenyl- structure
Product Name:Boronic acid, 4-pyrenyl-
CAS No:496839-55-5
MF:C16H11BO2
MW:246.06834435463
CID:1527055
PubChem ID:15204198
Update Time:2025-04-21

Boronic acid, 4-pyrenyl- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, 4-pyrenyl-
    • 496839-55-5
    • pyren-4-ylboronic acid
    • SCHEMBL13080593
    • Inchi: 1S/C16H11BO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9,18-19H
    • InChI Key: VDQAKVTYQOSRDU-UHFFFAOYSA-N
    • SMILES: OB(C1C=C2C=CC=C3C=CC4=CC=CC=1C4=C23)O

Computed Properties

  • Exact Mass: 245.08883
  • Monoisotopic Mass: 246.0852098g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 346
  • 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
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
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