2,3-Dimethyl-6-quinoxalinecarbaldehyde 1,4-dioxide
Basic information
- CAS
57948-14-8- Standard SMILES
Cc1c(C)[n+](=O)c2ccc(C=O)cc2n1[O-]- InChIKey
FVMYANIYKLKNMW-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 2,3-Dimethyl-6-quinoxalinecarbaldehyde 1,4-dioxide
- IUPAC
- 2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-carbaldehyde
- English name
- 2,3-dimethyl-4-oxido-1-oxo-quinoxaline-6-carbaldehyde
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
57948-14-82,3-Dimethyl-6-quinoxalinecarbaldehyde 1,4-dioxideNSC295593CHEMBL1631601DTXSID40315620NSC-2955936-Formyl-2,3-dimethyl-1-oxoquinoxalin-1-ium-4(1H)-olate2,3-dimethyl-4-oxido-1-oxo-quinoxaline-6-carbaldehyde6-Quinoxalinecarboxaldehyde, 2,3-dimethyl-, 1,4-dioxide
Database identifiers
- CAS
57948-14-8- PubChem CID
- 325974
- DTXSID
DTXSID40315620- ChEMBL
CHEMBL1631601
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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