B9Urg59tvn
Basic information
- CAS
57948-20-6- Standard SMILES
Cc1c(C)[n+](=O)c2ccc(/C=[N+](\[O-])CCO)cc2n1[O-]- InChIKey
FUGXLYPFLNKJAD-ZSOIEALJSA-N- Molecular formula
- C13H15N3O4
- Average molar mass
- 277.28 g/mol
- Monoisotopic mass
- 277.10625597
Names & identifiers
- Preferred name
- B9Urg59tvn
- IUPAC
- 1-(2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-yl)-N-(2-hydroxyethyl)methanimine oxide
Names & synonyms
B9URG59TVNNSC-29559657948-20-61-(2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-yl)-N-(2-hydroxyethyl)methanimineoxide2-(((2,3-Dimethyl-1,4-dioxidoquinoxalin-6-yl)methylene)(oxido)amino)ethanolEthanol, 2-[[(2,3-dimethyl-1,4-dioxido-6-quinoxalinyl)methylene]oxidoamino]-Ethanol, 2-[[(2,3-dimethyl-6-quinoxalinyl)methylene]amino]-, N,N',N''-trioxide
Database identifiers
- CAS
57948-20-6- PubChem CID
- 6079293
- UNII
- B9URG59TVN
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
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Related reactions
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Compound notes
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