Cas no 3994-53-4 (1-Methyl-5-nitro-1H-imidazole-2-carboxylic acid)

1-Methyl-5-nitro-1H-imidazole-2-carboxylic acid structure
3994-53-4 structure
Product Name:1-Methyl-5-nitro-1H-imidazole-2-carboxylic acid
CAS No:3994-53-4
MF:C5H5N3O4
MW:171.110900640488
MDL:MFCD23135842
CID:1038229
PubChem ID:15658229
Update Time:2025-04-20

1-Methyl-5-nitro-1H-imidazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-5-nitro-1H-imidazole-2-carboxylic acid
    • 1-methyl-5-nitroimidazole-2-carboxylic acid
    • SCHEMBL2117045
    • 1-methyl-2-carboxy-5-nitroimidazole
    • AKOS016001806
    • EN300-225725
    • DA-29155
    • A873526
    • CS-0300564
    • 3994-53-4
    • DTXSID20576454
    • 5-nitro-1-methyl-2-imidazolyl carboxylic acid
    • KPZWNYSWNWWBBW-UHFFFAOYSA-N
    • 1-Methyl-5-nitro-1H-imidazole-2-carboxylicacid
    • MDL： MFCD23135842
    • Inchi： 1S/C5H5N3O4/c1-7-3(8(11)12)2-6-4(7)5(9)10/h2H,1H3,(H,9,10)
    • InChI Key： KPZWNYSWNWWBBW-UHFFFAOYSA-N
    • SMILES： OC(C1=NC=C([N+](=O)[O-])N1C)=O

Computed Properties

  • Exact Mass: 171.02800565g/mol
  • Monoisotopic Mass: 171.02800565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 0.9
  • Topological Polar Surface Area: 101?2

1-Methyl-5-nitro-1H-imidazole-2-carboxylic acid Pricemore >>

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