Cas no 1256346-18-5 (3-Carboxy-4-methylphenylboronic acid)

3-Carboxy-4-methylphenylboronic acid structure
1256346-18-5 structure
Product Name:3-Carboxy-4-methylphenylboronic acid
CAS No:1256346-18-5
MF:C8H9BO4
MW:179.965662717819
MDL:MFCD13181619
CID:828187
PubChem ID:53216413
Update Time:2025-04-19

3-Carboxy-4-methylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Borono-2-methylbenzoic acid
    • 3-Carboxy-4-methylphenylboronic acid
    • BS-19761
    • DTXSID80681654
    • 1256346-18-5
    • 5-Borono-2-methylbenzoicacid
    • AKOS006336742
    • CS-0174382
    • BENZOIC ACID, 5-BORONO-2-METHYL-
    • 5-(DIHYDROXYBORANYL)-2-METHYLBENZOIC ACID
    • DB-368272
    • MFCD13181619
    • D71489
    • MDL： MFCD13181619
    • Inchi： 1S/C8H9BO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,12-13H,1H3,(H,10,11)
    • InChI Key： YFXACZJIMXASRO-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(B(O)O)C=CC=1C)=O

Computed Properties

  • Exact Mass: 180.05900
  • Monoisotopic Mass: 180.0593889g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 77.8?2

Experimental Properties

  • PSA: 77.76000
  • LogP: -0.62700

3-Carboxy-4-methylphenylboronic acid Pricemore >>

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