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Nioxime
CAS: 492-99-9 | C6H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
492-99-9
Molecular Formula:
C6H10N2O2
Molecular Weight:
142.15800000000002 g/mol
Names and Synonyms:
Nioxime
NSC 4076
Nyoxime
Nioxim
1,2-Bis(hydroxyimino)cyclohexane
Nioxime
1,2-Cyclohexanedione, dioxime
1,2-Cyclohexanedione, 1,2-dioxime
Identifiers:
SMILES:
ON=C1CCCCC1=NO
InChI:
InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.16 g/mol | Legacy Database |
| cas-canonical-smile | ON=C1C(=NO)CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CUNNCKOPAWXYDX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 192 °C None | Legacy Database |
| cas-name | Nioxime None | Legacy Database |
| LogP | 1.2208 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.15800000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.07422756 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 65.18 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.911 | RDKit |
