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Glyoxime
CAS: 557-30-2 | C2H4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-30-2
Molecular Formula:
C2H4N2O2
Molecular Mass:
88.07 g/mol
Names and Synonyms:
Glyoxime
Ethanedial, 1,2-dioxime
Glyoxime
Glyoxal, dioxime
Ethanedial, dioxime
Ethanedione dioxime
Pik-off
NSC 18263
Identifiers:
SMILES:
ON=CC=NO
InChI:
InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H
Key Properties
Melting Point
178 °C (decomp)
CAS Common Chemistry
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 | 88.07 g/mol | CAS Common Chemistry |
| 88.066 g/mol | RDKit | |
| 88.027277368 g/mol | RDKit | |
| Canonical SMILES | ON=CC=NO | CAS Common Chemistry |
| InChI | InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H | CAS Common Chemistry |
| InChI Key | InChIKey=LJHFIVQEAFAURQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178 °C (decomp) | CAS Common Chemistry |
| Name | Glyoxime | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -0.09360000000000007 | RDKit |
| Molar Refractivity | 20.557 | RDKit |
