Basic information
- CAS
27144-87-2- Standard SMILES
COc1ccc(O)c2c1[n+]([O-])cc[n+]2[O-]- InChIKey
KKFHRHKQNMKBIH-UHFFFAOYSA-N- Molecular formula
- C9H8N2O4
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.04840674
Names & identifiers
- Preferred name
- 1-Hydroxy-8-methoxy-4-oxo-4lambda~5~-quinoxalin-5(1H)-one
- IUPAC
- 8-methoxy-1,4-dioxidoquinoxaline-1,4-diium-5-ol
Names & synonyms
27144-87-2DTXSID107082671-Hydroxy-8-methoxy-4-oxo-4lambda~5~-quinoxalin-5(1H)-one4-Hydroxy-5-methoxy-1-oxo-1lambda~5~-quinoxalin-8(4H)-one
Database identifiers
- CAS
27144-87-2- PubChem CID
- 136239689
- DTXSID
DTXSID10708267
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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