Cas no 921938-57-0 (Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester)

Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester structure
921938-57-0 structure
Product Name:Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester
CAS No:921938-57-0
MF:C11H10N2O3
MW:218.20870256424
CID:802961
PubChem ID:24229500
Update Time:2025-04-19

Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester
    • methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
    • BS-29749
    • 921938-57-0
    • CS-0205568
    • MFCD09817472
    • FT-0763484
    • Benzoicacid,3-(3-methyl-1,2,4-oxadiazol-5-yl)-,methyl ester
    • DTXSID70640215
    • Inchi: 1S/C11H10N2O3/c1-7-12-10(16-13-7)8-4-3-5-9(6-8)11(14)15-2/h3-6H,1-2H3
    • InChI Key: RCWCQJAHRPNWBF-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=C(C(=O)OC)C=2)=NC(C)=N1

Computed Properties

  • Exact Mass: 218.06900
  • Monoisotopic Mass: 218.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 260
  • 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: 2.1
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • Density: 1.225
  • Melting Point: 94-96
  • Boiling Point: 371.2°C at 760 mmHg
  • Flash Point: 178.3°C
  • Refractive Index: 1.54
  • PSA: 65.22000
  • LogP: 1.83160

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