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Molecule
Dnqx
CAS: 2379-57-9 · C8H4N4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2379-57-9
- Molecular Formula
- C8H4N4O6
- Molecular Mass
- 252.14 g/mol
Identifiers
CAS Registry Number
2379-57-9
SMILES
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O
InChI Key
RWVIMCIPOAXUDG-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
Names and Synonyms
- Dnqx Common Name
- 2,3-Quinoxalinedione, 1,4-dihydro-6,7-dinitro- Synonym
- 2,3-Quinoxalinediol, 6,7-dinitro- Synonym
- 1,4-Dihydro-6,7-dinitro-2,3-quinoxalinedione Synonym
- 6,7-Dinitro-2,3-dihydroxyquinoxaline Synonym
- FG 9041 Synonym
- DNQX Synonym
- 6,7-Dinitroquinoxaline-2,3-(1H,4H)-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.14 g/mol | CAS Common Chemistry |
| 252.142 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DNQX | CAS Common Chemistry |
| Canonical SMILES | O=C1NC=2C=C(C(=CC2NC1=O)N(=O)=O)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14) | CAS Common Chemistry |
| InChI Key | InChIKey=RWVIMCIPOAXUDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >360 °C | CAS Common Chemistry |
| Name | DNQX | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 152.0 Ų | RDKit |
| LogP | 0.03279999999999972 | RDKit |
| 0.0328 | RDKit | |
| Molar Refractivity | 58.4982 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 252.013083848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 252.14 g/mol. Edit any field — others recompute live.
