Cas no 312758-84-2 (1H-Imidazole-4,5-dicarboxylicacid, 5-ethyl 4-methyl ester)

1H-Imidazole-4,5-dicarboxylicacid, 5-ethyl 4-methyl ester structure
312758-84-2 structure
Product Name:1H-Imidazole-4,5-dicarboxylicacid, 5-ethyl 4-methyl ester
CAS No:312758-84-2
MF:C8H10N2O4
MW:198.176002025604
CID:300894
PubChem ID:592727
Update Time:2025-04-19

1H-Imidazole-4,5-dicarboxylicacid, 5-ethyl 4-methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4,5-dicarboxylicacid, 5-ethyl 4-methyl ester
    • 4-O-ethyl 5-O-methyl 1H-imidazole-4,5-dicarboxylate
    • 4-ethyl 5-methyl 1H-imidazole-4,5-dicarboxylate
    • 5-Ethyl 4-methyl 1H-imidazole-4,5-dicarboxylate
    • HMS1790C04
    • 5-Ethyl 4-methyl 1H-imidazole-4,5-dicarboxylate #
    • 1H-Imidazole-4,5-dicarboxylic acid 5-ethyl ester 4-methyl ester
    • CIOAKZIBAGYGSB-UHFFFAOYSA-N
    • 312758-84-2
    • SCHEMBL16296266
    • AKOS001143425
    • DTXSID10343854
    • 1H-Imidazole-4,5-dicarboxylicacid,4-ethyl5-methylester(9CI)
    • Inchi： 1S/C8H10N2O4/c1-3-14-8(12)6-5(7(11)13-2)9-4-10-6/h4H,3H2,1-2H3,(H,9,10)
    • InChI Key： CIOAKZIBAGYGSB-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=C(C(=O)OC)NC=N1)=O

Computed Properties

  • Exact Mass: 198.06400
  • Monoisotopic Mass: 198.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 231
  • 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: 0.8
  • Topological Polar Surface Area: 81.3?2

Experimental Properties

  • PSA: 81.28000
  • LogP: 0.37300

1H-Imidazole-4,5-dicarboxylicacid, 5-ethyl 4-methyl ester Related Literature

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