Cas no 14716-92-8 (3-propyl-1,2-oxazole-5-carboxylic acid)

3-propyl-1,2-oxazole-5-carboxylic acid structure
14716-92-8 structure
Product Name:3-propyl-1,2-oxazole-5-carboxylic acid
CAS No:14716-92-8
MF:C7H9NO3
MW:155.151262044907
MDL:MFCD09701733
CID:120604
PubChem ID:20072746
Update Time:2025-04-18

3-propyl-1,2-oxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Propylisoxazole-5-carboxylic acid
    • 3-Propyl-isoxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylicacid, 3-propyl-
    • 3-(n-Propyl)-5-carboxy-isoxazol
    • ALBB-009882
    • CTK0H1931
    • SBB025167
    • SureCN2530338
    • 3-propyl-1,2-oxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylicacid,3-propyl-(8CI)
    • Z1198221226
    • DTXSID00602149
    • LS-03312
    • CS-0446777
    • JHEZCMNYXDKGTQ-UHFFFAOYSA-N
    • 3-PROPYL-5-ISOXAZOLECARBOXYLIC ACID
    • 5-Isoxazolecarboxylic acid, 3-propyl-
    • SCHEMBL2530338
    • 3-Propylisoxazole-5-carboxylicacid
    • 3-Propyl-isoxazole-5-carboxylicacid
    • 14716-92-8
    • MFCD09701733
    • AKOS000302556
    • EN300-92649
    • STK352108
    • MDL: MFCD09701733
    • Inchi: 1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)11-8-5/h4H,2-3H2,1H3,(H,9,10)
    • InChI Key: JHEZCMNYXDKGTQ-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=CC(CCC)=N1

Computed Properties

  • Exact Mass: 155.05827
  • Monoisotopic Mass: 155.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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: 1.4
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 321.5±30.0 °C at 760 mmHg
  • Flash Point: 148.2±24.6 °C
  • PSA: 63.33
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

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