Cas no 689247-77-6 (4-Acetylthiophene-2-boronic Acid)

4-Acetylthiophene-2-boronic Acid structure
689247-77-6 structure
Product Name:4-Acetylthiophene-2-boronic Acid
CAS No:689247-77-6
MF:C6H7BO3S
MW:169.993980646133
MDL:MFCD18311854
CID:972640
PubChem ID:45086500
Update Time:2025-04-19

4-Acetylthiophene-2-boronic Acid Chemical and Physical Properties

Names and Identifiers

    • (4-Acetylthiophen-2-yl)boronic acid
    • DTXSID40665915
    • AKOS006317467
    • 4-ACETYLTHIOPHENE-2-BORONIC ACID
    • 689247-77-6
    • MFCD18311854
    • A866947
    • CS-0174688
    • BS-24608
    • (4-Acetylthiophen-2-yl)boronicacid
    • DB-367286
    • Boronic acid, (4-acetyl-2-thienyl)- (9CI)
    • 4-Acetylthiophene-2-boronic Acid
    • MDL: MFCD18311854
    • Inchi: 1S/C6H7BO3S/c1-4(8)5-2-6(7(9)10)11-3-5/h2-3,9-10H,1H3
    • InChI Key: XKYSXWBDDIMHQE-UHFFFAOYSA-N
    • SMILES: S1C=C(C(C)=O)C=C1B(O)O

Computed Properties

  • Exact Mass: 170.02100
  • Monoisotopic Mass: 170.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 162
  • 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: 85.8A^2

Experimental Properties

  • PSA: 85.77000
  • LogP: -0.36950

4-Acetylthiophene-2-boronic Acid Pricemore >>

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