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Basic information
- Standard SMILES
CC(=O)c1c(C(=O)O)n(O)c2ccccc2[n+]1=O- InChIKey
LFVKUHYVPWIZLA-UHFFFAOYSA-O- Molecular formula
- C11H9N2O5+
- Average molar mass
- 249.2 g/mol
- Monoisotopic mass
- 249.05114639
Names & identifiers
- Preferred name
- 3-Acetyl-1-hydroxy-4-oxoquinoxalin-4-ium-2-carboxylic acid
- IUPAC
- 3-acetyl-1-hydroxy-4-oxoquinoxalin-4-ium-2-carboxylic acid
Database identifiers
- PubChem CID
- 337092
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 456
Related reactions
0 records
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Compound notes
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