Cas no 1375064-41-7 (Methyl 5-(4-Cyanophenyl)isoxazole-3-carboxylate)

Methyl 5-(4-Cyanophenyl)isoxazole-3-carboxylate structure
1375064-41-7 structure
Product Name:Methyl 5-(4-Cyanophenyl)isoxazole-3-carboxylate
CAS No:1375064-41-7
MF:C12H8N2O3
MW:228.20352268219
MDL:MFCD22192328
CID:1056712
Update Time:2025-04-20

Methyl 5-(4-Cyanophenyl)isoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(4-Cyanophenyl)isoxazole-3-carboxylate
    • 3-?Isoxazolecarboxylic acid, 5-?(4-?cyanophenyl)?-?, methyl ester
    • 7097AJ
    • TRA0068674
    • SY015166
    • Methyl5-(4-Cyanophenyl)isoxazole-3-carboxylate
    • METHYL 5-(4-CYANOPHENYL)-1,2-OXAZOLE-3-CARBOXYLATE
    • MDL： MFCD22192328
    • Inchi： 1S/C12H8N2O3/c1-16-12(15)10-6-11(17-14-10)9-4-2-8(7-13)3-5-9/h2-6H,1H3
    • InChI Key： LQMGDMIENOPHGD-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C(=O)OC)=N1)C1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 228.05300
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 328
  • Topological Polar Surface Area: 76.1

Experimental Properties

  • PSA: 76.12000
  • LogP: 1.99988

Methyl 5-(4-Cyanophenyl)isoxazole-3-carboxylate Pricemore >>

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