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Molecule
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
Identifiers
CAS Registry Number
557-30-2
SMILES
ON=CC=NO
InChI Key
LJHFIVQEAFAURQ-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H
Names and Synonyms
- Glyoxime Synonym
- Ethanedial, 1,2-dioxime Synonym
- Glyoxime Synonym
- Glyoxal, dioxime Synonym
- Ethanedial, dioxime Synonym
- Ethanedione dioxime Synonym
- Pik-off Synonym
- NSC 18263 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.07 g/mol | CAS Common Chemistry |
| 88.066 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 |
| -0.0936 | RDKit | |
| Molar Refractivity | 20.557 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 88.027277368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 88.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H4N2O2.
