Cas no 26401-30-9 (Boric acid (H3BO3),triisooctyl ester)

Boric acid (H3BO3),triisooctyl ester structure
26401-30-9 structure
Product Name:Boric acid (H3BO3),triisooctyl ester
CAS No:26401-30-9
MF:C24H51BO3
MW:398.470948457718
CID:269725
PubChem ID:19369108
Update Time:2025-04-19

Boric acid (H3BO3),triisooctyl ester Chemical and Physical Properties

Names and Identifiers

    • Boric acid (H3BO3),triisooctyl ester
    • Triisooctyl orthoborate
    • tris(6-methylheptyl) borate
    • EINECS 247-659-2
    • DTXSID50949293
    • 26401-30-9
    • SCHEMBL787639
    • Inchi: 1S/C24H51BO3/c1-22(2)16-10-7-13-19-26-25(27-20-14-8-11-17-23(3)4)28-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
    • InChI Key: XMLAPNGGLRZABE-UHFFFAOYSA-N
    • SMILES: O(B(OCCCCCC(C)C)OCCCCCC(C)C)CCCCCC(C)C

Computed Properties

  • Exact Mass: 397.39693
  • Monoisotopic Mass: 398.3931257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 21
  • Complexity: 261
  • 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: 27.7?2

Experimental Properties

  • PSA: 27.69
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