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Hydroxylammonium Oxalate
CAS: 4682-08-0 | C2H5NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4682-08-0
Molecular Formula:
C2H5NO5
Molecular Weight:
123.06399999999998 g/mol
Names and Synonyms:
Hydroxylammonium Oxalate
Hydroxylammonium oxalate
Hydroxylamine, ethanedioate (2:1) (salt)
Hydroxylamine, oxalate (2:1)
Hydroxylamine, ethanedioate (2:1)
Identifiers:
SMILES:
NO.O=C(O)C(=O)O
InChI:
InChI=1S/C2H2O4.H3NO/c3-1(4)2(5)6;1-2/h(H,3,4)(H,5,6);2H,1H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.06399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.01677226000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 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 | 120.85000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.5101 | RDKit |
| molecular_mass | 123.06 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(=O)O.ON None | Legacy Database |
| cas-inchi | InChI=1S/C2H2O4.H3NO/c3-1(4)2(5)6;1-2/h(H,3,4)(H,5,6);2H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LVWBCSKGNSTMNO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Hydroxylammonium oxalate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.245500000000003 | RDKit |
