Cas no 902742-33-0 (3-cyclopentyl-1,2-oxazole-5-carboxylic acid)

3-cyclopentyl-1,2-oxazole-5-carboxylic acid structure
902742-33-0 structure
Product Name:3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CAS No:902742-33-0
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD07701408
CID:4664541
PubChem ID:56828658
Update Time:2024-10-26

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

Names and Identifiers

    • 3-cyclopentyl-1,2-oxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylic acid, 3-cyclopentyl-
    • EN300-96591
    • AKOS008153426
    • 902742-33-0
    • 3-Cyclopentylisoxazole-5-carboxylic acid
    • CS-0265129
    • G73438
    • DB-105529
    • SCHEMBL11900265
    • Z975823512
    • CLB74233
    • 3-cyclopentyl-1,2-oxazole-5-carboxylicacid
    • MDL: MFCD07701408
    • Inchi: 1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
    • InChI Key: BARRKOGFPADROJ-UHFFFAOYSA-N
    • SMILES: O1C(C(O)=O)=CC(C2CCCC2)=N1

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: 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
  • Melting Point: NA
  • 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

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