6-Acetyl-2-carbamoyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate

Base Information

• Chemical Name: 6-Acetyl-2-carbamoyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
• CAS No.: 59689-84-8
• Molecular Formula: C12H11N3O4
• ChEMBL ID: CHEMBL3250385
• DSSTox Substance ID: DTXSID70498293
• Wikidata: Q82348268

Synonyms:59689-84-8;CHEMBL3250385;DTXSID70498293;6-Acetyl-2-carbamoyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate

Chemical Property of 6-Acetyl-2-carbamoyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 261.07495584
• Heavy Atom Count: 19
• Complexity: 485

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)C(=O)C)C(=O)N

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