Cas no 908856-67-7 (5-Cyclopentyl-1,2-oxazole-3-carboxylic acid)

5-Cyclopentyl-1,2-oxazole-3-carboxylic acid structure
908856-67-7 structure
Product Name:5-Cyclopentyl-1,2-oxazole-3-carboxylic acid
CAS No:908856-67-7
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD07377300
CID:4524609
PubChem ID:57426031
Update Time:2025-04-24

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

Names and Identifiers

    • 5-Cyclopentyl-1,2-oxazole-3-carboxylic acid
    • 5-Cyclopentylisoxazole-3-carboxylic acid
    • EN300-712400
    • SY268278
    • A1-12573
    • 908856-67-7
    • MFCD07377300
    • SCHEMBL892137
    • KGTFQUOPSNNCTE-UHFFFAOYSA-N
    • CS-0081526
    • 5-cyclopentyl-isoxazole-3-carboxylic acid
    • D74330
    • ILB85667
    • AKOS017531091
    • 5-cyclopentyl-isoxazole-3-carboxylicacid
    • MDL: MFCD07377300
    • Inchi: 1S/C9H11NO3/c11-9(12)7-5-8(13-10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
    • InChI Key: KGTFQUOPSNNCTE-UHFFFAOYSA-N
    • SMILES: O1C(C2CCCC2)=CC(C(O)=O)=N1

Computed Properties

  • Exact Mass: 181.07389321Da
  • Monoisotopic Mass: 181.07389321Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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: 1.9
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 370.7±30.0 °C at 760 mmHg
  • Flash Point: 178.0±24.6 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-Cyclopentyl-1,2-oxazole-3-carboxylic acid Security Information

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