Cas no 3356-86-3 (4-Oxazolecarboxylicacid, 5,5'-(1-triazene-1,3-diyl)bis[2-methyl-, diethyl ester (9CI))

4-Oxazolecarboxylicacid, 5,5'-(1-triazene-1,3-diyl)bis[2-methyl-, diethyl ester (9CI) structure
3356-86-3 structure
Product Name:4-Oxazolecarboxylicacid, 5,5'-(1-triazene-1,3-diyl)bis[2-methyl-, diethyl ester (9CI)
CAS No:3356-86-3
MF:C14H17N5O6
MW:351.314682722092
CID:295434
PubChem ID:122130149
Update Time:2025-04-19

4-Oxazolecarboxylicacid, 5,5'-(1-triazene-1,3-diyl)bis[2-methyl-, diethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-hydroxy-4-methylbenzoate
    • (E)-Diethyl 5,5'-(triaz-1-ene-1,3-diyl)bis(2-methyloxazole-4-carboxylate)
    • 3356-86-3
    • 4-Oxazolecarboxylicacid, 5,5'-(1-triazene-1,3-diyl)bis[2-methyl-, diethyl ester (9CI)
    • Inchi： 1S/C14H17N5O6/c1-5-22-13(20)9-11(24-7(3)15-9)17-19-18-12-10(14(21)23-6-2)16-8(4)25-12/h5-6H2,1-4H3,(H,17,18)
    • InChI Key： JYVIMNCKAFRCPE-UHFFFAOYSA-N
    • SMILES： O1C(C)=NC(C(=O)OCC)=C1N/N=N/C1=C(C(=O)OCC)N=C(C)O1

Computed Properties

  • Exact Mass: 351.11788328g/mol
  • Monoisotopic Mass: 351.11788328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 9
  • Complexity: 504
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 141?2

4-Oxazolecarboxylicacid, 5,5'-(1-triazene-1,3-diyl)bis[2-methyl-, diethyl ester (9CI) Related Literature

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