Cas no 1035801-90-1 (6-methoxy-5-methyl-2-Pyridinecarboxylic acid)

6-methoxy-5-methyl-2-Pyridinecarboxylic acid structure
1035801-90-1 structure
Product Name:6-methoxy-5-methyl-2-Pyridinecarboxylic acid
CAS No:1035801-90-1
MF:C8H9NO3
MW:167.161962270737
CID:1097035
Update Time:2024-07-26

6-methoxy-5-methyl-2-Pyridinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-methoxy-5-methyl-2-Pyridinecarboxylic acid
    • 2-Pyridinecarboxylic acid, 6-methoxy-5-methyl-
    • Inchi: 1S/C8H9NO3/c1-5-3-4-6(8(10)11)9-7(5)12-2/h3-4H,1-2H3,(H,10,11)
    • InChI Key: PMZUCJWWCFDLMZ-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)=NC(OC)=C(C)C=C1

Computed Properties

  • Exact Mass: 167.058
  • Monoisotopic Mass: 167.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 59.4A^2

Experimental Properties

  • Density: 1.233±0.06 g/cm3(Predicted)
  • Boiling Point: 318.8±37.0 °C(Predicted)
  • pka: 3.72±0.10(Predicted)

6-methoxy-5-methyl-2-Pyridinecarboxylic acid Pricemore >>

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