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Sodium Dimethylglyoximate
CAS: 60908-54-5 | C4H8N2Na2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60908-54-5
Molecular Formula:
C4H8N2Na2O2
Molecular Mass:
162.10 g/mol
Names and Synonyms:
Sodium Dimethylglyoximate
2,3-Butanedione, 2,3-dioxime, sodium salt (1:2)
2,3-Butanedione, dioxime, disodium salt
Sodium dimethylglyoximate
Dimethylglyoxime disodium salt
Identifiers:
SMILES:
CC(=NO)C(C)=NO.[Na].[Na]
InChI:
InChI=1S/C4H8N2O2.2Na/c1-3(5-7)4(2)6-8;;/h7-8H,1-2H3;;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.10 g/mol | CAS Common Chemistry |
| 162.1 g/mol | RDKit | |
| 162.03811605599998 g/mol | RDKit | |
| Canonical SMILES | [Na].ON=C(C(=NO)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2.2Na/c1-3(5-7)4(2)6-8;;/h7-8H,1-2H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=IVRWRWYCTJBWMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium dimethylglyoximate | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | -0.07500000000000012 | RDKit |
| Molar Refractivity | 41.29900000000001 | RDKit |
