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Molecule
Dimethylglyoxime
CAS: 95-45-4 · C4H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 95-45-4
- Molecular Formula
- C4H8N2O2
- Molecular Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
95-45-4
SMILES
CC(=NO)C(C)=NO
InChI Key
JGUQDUKBUKFFRO-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3
Names and Synonyms
- Dimethylglyoxime Synonym
- 2,3-Diisonitrosobutane Synonym
- Dimethylglyoxime Synonym
- 2,3-Butanedione, 2,3-dioxime Synonym
- 2,3-Butanedione, dioxime Synonym
- Diacetyl dioxime Synonym
- Chugaev's reagent Synonym
- Biacetyl dioxime Synonym
- Reagents, Chugaev's Synonym
- NSC 9 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylglyoxime | CAS Common Chemistry |
| Name | Dimethylglyoxime | CAS Common Chemistry |
| Boiling Point | 249-295 °C | CAS Common Chemistry |
| Canonical SMILES | ON=C(C(=NO)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGUQDUKBUKFFRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245.5 °C | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 0.6866 | RDKit |
| Molar Refractivity | 29.790999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 116.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 116.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O2.
