Cas no 171089-85-3 (Boronic acid, [2,5-bis(hexyloxy)-1,4-phenylene]bis-)

Boronic acid, [2,5-bis(hexyloxy)-1,4-phenylene]bis- structure
171089-85-3 structure
Product Name:Boronic acid, [2,5-bis(hexyloxy)-1,4-phenylene]bis-
CAS No:171089-85-3
MF:C18H32B2O6
MW:366.065086364746
CID:1358580
PubChem ID:12046584
Update Time:2025-04-20

Boronic acid, [2,5-bis(hexyloxy)-1,4-phenylene]bis- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, [2,5-bis(hexyloxy)-1,4-phenylene]bis-
    • 2,5-dihexyloxy-1,4-phenylenediboronic acid
    • DA-27210
    • SCHEMBL3533988
    • 171089-85-3
    • (2,5-Bis(hexyloxy)-1,4-phenylene)diboronic acid
    • Inchi: 1S/C18H32B2O6/c1-3-5-7-9-11-25-17-13-16(20(23)24)18(14-15(17)19(21)22)26-12-10-8-6-4-2/h13-14,21-24H,3-12H2,1-2H3
    • InChI Key: QKMOXCJPFCTBJF-UHFFFAOYSA-N
    • SMILES: O(C1C=C(B(O)O)C(=CC=1B(O)O)OCCCCCC)CCCCCC

Computed Properties

  • Exact Mass: 364.24576
  • Monoisotopic Mass: 366.2384991g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 14
  • Complexity: 314
  • 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: 99.4?2

Experimental Properties

  • PSA: 99.38
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