Cas no 147028-78-2 (2-methyl-2-(pyridin-4-yl)propanoic acid)

2-methyl-2-(pyridin-4-yl)propanoic acid structure
147028-78-2 structure
Product Name:2-methyl-2-(pyridin-4-yl)propanoic acid
CAS No:147028-78-2
MF:C9H11NO2
MW:165.189142465591
MDL:MFCD07644550
CID:4700975
PubChem ID:10558977
Update Time:2023-11-24

2-methyl-2-(pyridin-4-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-2-pyridin-4-ylpropanoic acid
    • 2-methyl-2-(pyridin-4-yl)propanoic acid
    • MDL: MFCD07644550
    • Inchi: 1S/C9H11NO2/c1-9(2,8(11)12)7-3-5-10-6-4-7/h3-6H,1-2H3,(H,11,12)
    • InChI Key: NXMDCBMOHHILDN-UHFFFAOYSA-N
    • SMILES: OC(C(C)(C)C1C=CN=CC=1)=O

Computed Properties

  • Exact Mass: 165.078978594 g/mol
  • Monoisotopic Mass: 165.078978594 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 171
  • 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
  • Molecular Weight: 165.19
  • XLogP3: 1.2
  • Topological Polar Surface Area: 50.2

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