Cas no 186498-24-8 ((4-Butyrylphenyl)boronic acid)

(4-Butyrylphenyl)boronic acid structure
(4-Butyrylphenyl)boronic acid structure
Product Name:(4-Butyrylphenyl)boronic acid
CAS No:186498-24-8
MF:C10H13BO3
MW:192.019423246384
MDL:MFCD08701778
CID:828369
Update Time:2025-08-05

(4-Butyrylphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Butyrylphenyl)boronic acid
    • 4-Butyrylphenylboronic acid
    • (4-butanoylphenyl)boronic acid
    • AKOS BRN-1184
    • MDL: MFCD08701778
    • Inchi: 1S/C10H13BO3/c1-2-3-10(12)8-4-6-9(7-5-8)11(13)14/h4-7,13-14H,2-3H2,1H3
    • InChI Key: IGYWRXHZSLSNLZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(B(O)O)=CC=1)CCC

Computed Properties

  • Exact Mass: 192.09600
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 57.53000
  • LogP: 0.34920

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