Cas no 1187209-18-2 (2-(4-Boronophenyl)-2-methylpropanoic acid)

2-(4-Boronophenyl)-2-methylpropanoic acid structure
1187209-18-2 structure
Product Name:2-(4-Boronophenyl)-2-methylpropanoic acid
CAS No:1187209-18-2
MF:C10H13BO4
MW:208.018823385239
MDL:MFCD09991614
CID:1024926
PubChem ID:50999137
Update Time:2025-04-20

2-(4-Boronophenyl)-2-methylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Boronophenyl)-2-methylpropanoic acid
    • DTXSID70679424
    • 1187209-18-2
    • AKOS015892966
    • 2-[4-(DIHYDROXYBORANYL)PHENYL]-2-METHYLPROPANOIC ACID
    • AS-37050
    • 2-(4-Boronophenyl)-2-methylpropanoicacid
    • QAMVLOFDQNAZOP-UHFFFAOYSA-N
    • SCHEMBL2554315
    • MFCD09991614
    • CS-0171833
    • A893011
    • MDL： MFCD09991614
    • Inchi： 1S/C10H13BO4/c1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,14-15H,1-2H3,(H,12,13)
    • InChI Key： QAMVLOFDQNAZOP-UHFFFAOYSA-N
    • SMILES： OC(C(C)(C)C1C=CC(B(O)O)=CC=1)=O

Computed Properties

  • Exact Mass: 208.09100
  • Monoisotopic Mass: 208.0906891g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 232
  • 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

  • Color/Form: White to Yellow Solid
  • PSA: 77.76000
  • LogP: -0.27140

2-(4-Boronophenyl)-2-methylpropanoic acid Security Information

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