3-(1-Methyl-5-nitro-1H-imidazole-2-sulfonyl)propanoic acid

Base Information

• Chemical Name: 3-(1-Methyl-5-nitro-1H-imidazole-2-sulfonyl)propanoic acid
• CAS No.: 50970-38-2
• Molecular Formula: C7H9N3O6S
• ChEMBL ID: CHEMBL3274652
• DSSTox Substance ID: DTXSID80495435
• Wikidata: Q82343558

Synonyms:50970-38-2;CHEMBL3274652;DTXSID80495435;3-(1-Methyl-5-nitro-1H-imidazole-2-sulfonyl)propanoic acid

Chemical Property of 3-(1-Methyl-5-nitro-1H-imidazole-2-sulfonyl)propanoic acid

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 263.02120619
• Heavy Atom Count: 17
• Complexity: 410

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=C1S(=O)(=O)CCC(=O)O)[N+](=O)[O-]

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