Cas no 71945-71-6 (4-Methyl-2-nitrophenylpropanoic acid)

4-Methyl-2-nitrophenylpropanoic acid structure
71945-71-6 structure
Product Name:4-Methyl-2-nitrophenylpropanoic acid
CAS No:71945-71-6
MF:C10H11NO4
MW:209.198642969131
CID:4938248
Update Time:2023-08-22

4-Methyl-2-nitrophenylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-2-nitrophenylpropanoic acid
    • Inchi: 1S/C10H11NO4/c1-6-3-4-8(7(2)10(12)13)9(5-6)11(14)15/h3-5,7H,1-2H3,(H,12,13)
    • InChI Key: LTUDRESCLXUDQA-UHFFFAOYSA-N
    • SMILES: OC(C(C)C1C=CC(C)=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 209.06880783 g/mol
  • Monoisotopic Mass: 209.06880783 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 261
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 83.1
  • Molecular Weight: 209.20

4-Methyl-2-nitrophenylpropanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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