Basic information
- CAS
1504-48-9- Standard SMILES
O=c1[nH]c2ccccc2[n+]([O-])c1-c1ccccc1- InChIKey
JUJNJFGOMPIJOT-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 3-Hydroxy-2-phenylquinoxalin-1-ium-1-olate
- IUPAC
- 4-oxido-3-phenyl-1H-quinoxalin-4-ium-2-one
Names & synonyms
3-hydroxy-2-phenylquinoxalin-1-ium-1-olate1504-48-9DTXSID80353026RefChem:279810DTXCID90304089MLS000773403CHEMBL1446391HMS1766J06HMS2695I18MFCD00829386AKOS034466020SMR000364052
Show more names
DB-015592SR-010000443901-Oxo-2-phenyl-1lambda~5~-quinoxalin-3(4H)-oneSR-01000044390-1Z56924466
Database identifiers
- CAS
1504-48-9- PubChem CID
- 736441
- DTXSID
DTXSID80353026- ChEMBL
CHEMBL1446391
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Solubility>35.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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