Cas no 137640-86-9 (2-Pyridinecarboxylic acid, 6-(3-ethylphenoxy)-)

2-Pyridinecarboxylic acid, 6-(3-ethylphenoxy)- structure
137640-86-9 structure
Product Name:2-Pyridinecarboxylic acid, 6-(3-ethylphenoxy)-
CAS No:137640-86-9
MF:C14H13NO3
MW:243.257923841476
CID:1245565
PubChem ID:55052928
Update Time:2025-04-20

2-Pyridinecarboxylic acid, 6-(3-ethylphenoxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxylic acid, 6-(3-ethylphenoxy)-
    • 2-pyridinecarboxylic acid,6-(3-ethylphenoxy)-
    • 137640-86-9
    • AKOS006064317
    • Inchi: 1S/C14H13NO3/c1-2-10-5-3-6-11(9-10)18-13-8-4-7-12(15-13)14(16)17/h3-9H,2H2,1H3,(H,16,17)
    • InChI Key: HPZYIHYCCUCPLX-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C(=O)O)N=1)C1=CC=CC(=C1)CC

Computed Properties

  • Exact Mass: 243.08959
  • Monoisotopic Mass: 243.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 282
  • 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
  • XLogP3: 3.4

Experimental Properties

  • PSA: 59.42
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