Cas no 140381-01-7 (4-Oxazolecarboxylic acid, 2-butyl-, methyl ester)

4-Oxazolecarboxylic acid, 2-butyl-, methyl ester structure
140381-01-7 structure
Product Name:4-Oxazolecarboxylic acid, 2-butyl-, methyl ester
CAS No:140381-01-7
MF:C9H13NO3
MW:183.204422712326
MDL:MFCD11845271
CID:1297862
PubChem ID:15684492
Update Time:2025-07-28

4-Oxazolecarboxylic acid, 2-butyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylic acid, 2-butyl-, methyl ester
    • MFCD11845271
    • AC4150
    • methyl 2-butyl-1,3-oxazole-4-carboxylate
    • 140381-01-7
    • AKOS037629802
    • SY058474
    • A925496
    • methyl 2-butyloxazole-4-carboxylate
    • MDL: MFCD11845271
    • Inchi: 1S/C9H13NO3/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h6H,3-5H2,1-2H3
    • InChI Key: ASJMVIBNWHBKDR-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)OC)N=C1CCCC

Computed Properties

  • Exact Mass: 183.08959
  • Monoisotopic Mass: 183.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 172
  • 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: 2.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 246.3±13.0 °C at 760 mmHg
  • Flash Point: 102.7±19.8 °C
  • PSA: 52.33
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

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