Basic information
- CAS
27520-05-4- Standard SMILES
NC(=O)c1c(CO)n([O-])c2ccccc2[n+]1=O- InChIKey
RXYRRAIPQQXQDE-UHFFFAOYSA-N- Molecular formula
- C10H9N3O4
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.05930578
Names & identifiers
- Preferred name
- 2-Quinoxalinecarboxamide, 3-(hydroxymethyl)-, 1,4-dioxide
- IUPAC
- 3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Names & synonyms
27520-05-42-Quinoxalinecarboxamide, 3-(hydroxymethyl)-, 1,4-dioxide2-carbamoyl-3-(hydroxymethyl)-1-oxoquinoxalin-1-ium-4(1h)-olateDTXSID80181942
Database identifiers
- CAS
27520-05-4- PubChem CID
- 214005
- DTXSID
DTXSID80181942- Nikkaji
- J59.556J
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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