Cas no 863507-81-7 (5-(propan-2-yloxy)pyridine-3-carboxylic acid)

5-(propan-2-yloxy)pyridine-3-carboxylic acid structure
863507-81-7 structure
Product Name:5-(propan-2-yloxy)pyridine-3-carboxylic acid
CAS No:863507-81-7
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD14282014
CID:1855431
PubChem ID:44122626
Update Time:2025-04-21

5-(propan-2-yloxy)pyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylic acid, 5-(1-methylethoxy)-
    • 5-Isopropoxynicotinic acid
    • 5-(propan-2-yloxy)pyridine-3-carboxylic acid
    • DB-169106
    • 5-propan-2-yloxypyridine-3-carboxylic acid
    • 5-Isopropoxynicotinicacid
    • Z1160904376
    • EN300-111512
    • 863507-81-7
    • SCHEMBL12923699
    • ALBB-019946
    • MFCD14282014
    • F21189
    • F8880-7395
    • AKOS004912385
    • MDL: MFCD14282014
    • Inchi: 1S/C9H11NO3/c1-6(2)13-8-3-7(9(11)12)4-10-5-8/h3-6H,1-2H3,(H,11,12)
    • InChI Key: MAYWTKAKICFRKL-UHFFFAOYSA-N
    • SMILES: O(C1C=NC=C(C(=O)O)C=1)C(C)C

Computed Properties

  • Exact Mass: 181.07389321g/mol
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 59.4?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 337.7±22.0 °C at 760 mmHg
  • Flash Point: 158.0±22.3 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

5-(propan-2-yloxy)pyridine-3-carboxylic acid Security Information

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