11-Hydroxy-11-methyl-5-oxo-5,11-dihydro-10h-indeno[1,2-b]quinoxalin-5-ium-10-olate
Basic information
- CAS
6954-89-8- Standard SMILES
CC1(O)c2ccccc2-c2c1n([O-])c1ccccc1[n+]2=O- InChIKey
JYXSTPRLCATTQQ-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 11-Hydroxy-11-methyl-5-oxo-5,11-dihydro-10h-indeno[1,2-b]quinoxalin-5-ium-10-olate
- IUPAC
- 11-methyl-10-oxido-5-oxoindeno[1,2-b]quinoxalin-5-ium-11-ol
Names & synonyms
6954-89-811-hydroxy-11-methyl-5-oxo-5,11-dihydro-10h-indeno[1,2-b]quinoxalin-5-ium-10-olateNSC67802DTXSID30290290NSC-67802
Database identifiers
- CAS
6954-89-8- PubChem CID
- 249457
- DTXSID
DTXSID30290290
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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