Cas no 1106677-24-0 (4-Hexanoylphenylboronic acid)

4-Hexanoylphenylboronic acid structure
4-Hexanoylphenylboronic acid structure
Product Name:4-Hexanoylphenylboronic acid
CAS No:1106677-24-0
MF:C12H17BO3
MW:220.072583913803
MDL:MFCD08701782
CID:2194446
PubChem ID:23005442
Update Time:2025-04-21

4-Hexanoylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Hexanoylphenylboronic acid
    • AKOS BRN-1188
    • BS-23252
    • F75811
    • (4-hexanoylphenyl)boronic acid
    • 4-HEXANOYLPHENYLBORONICACID
    • DB-367814
    • DTXSID70629666
    • AKOS004115095
    • CS-0178378
    • MFCD08701782
    • 1106677-24-0
    • MDL: MFCD08701782
    • Inchi: 1S/C12H17BO3/c1-2-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16/h6-9,15-16H,2-5H2,1H3
    • InChI Key: MDARDEFCXPDTJR-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(B(O)O)=CC=1)CCCCC

Computed Properties

  • Exact Mass: 220.12700
  • Monoisotopic Mass: 220.1270746g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 210
  • 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: 57.5?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 393.6±44.0 °C at 760 mmHg
  • Flash Point: 191.8±28.4 °C
  • PSA: 57.53000
  • LogP: 1.12940
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4-Hexanoylphenylboronic acid Security Information

4-Hexanoylphenylboronic acid Pricemore >>

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