Cas no 553652-71-4 (4-Propylpyridin-3-ylboronic Acid)

4-Propylpyridin-3-ylboronic Acid structure
553652-71-4 structure
Product Name:4-Propylpyridin-3-ylboronic Acid
CAS No:553652-71-4
MF:C8H12BNO2
MW:164.997382164001
CID:4715179
PubChem ID:69753370
Update Time:2024-03-01

4-Propylpyridin-3-ylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, (4-propyl-3-pyridinyl)- (9CI)
    • RETNMHLQDWDDAQ-UHFFFAOYSA-N
    • 4-Propylpyridin-3-ylboronic Acid
    • Inchi: 1S/C8H12BNO2/c1-2-3-7-4-5-10-6-8(7)9(11)12/h4-6,11-12H,2-3H2,1H3
    • InChI Key: RETNMHLQDWDDAQ-UHFFFAOYSA-N
    • SMILES: OB(C1C=NC=CC=1CCC)O

Computed Properties

  • Exact Mass: 165.0961088g/mol
  • Monoisotopic Mass: 165.0961088g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 132
  • 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: 53.4
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