Back to Search
Ammonium Oxalate Monohydrate
CAS: 6009-70-7 | C2H10N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6009-70-7
Molecular Formula:
C2H10N2O5
Molecular Mass:
142.11 g/mol
Names and Synonyms:
Ammonium Oxalate Monohydrate
Ethanedioic acid, ammonium salt, hydrate (1:2:1)
Oxalic acid, diammonium salt, monohydrate
Ethanedioic acid, diammonium salt, monohydrate
Ammonium oxalate monohydrate
Diammonium oxalate monohydrate
Ammonium oxalate ((NH4)2C2O4) monohydrate
Identifiers:
SMILES:
N.N.O.O=C(O)C(=O)O
InChI:
InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
Key Properties
Melting Point
75 °C (decomp)
CAS Common Chemistry
Density
1.50 g/cm³
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 | 142.11 g/mol | CAS Common Chemistry |
| 142.111 g/mol | RDKit | |
| 142.05897142 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.50 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(=O)O.O.N | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MSMNVXKYCPHLLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C (decomp) | CAS Common Chemistry |
| Name | Ammonium oxalate monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 176.09999999999997 Ų | RDKit |
| LogP | -1.3451000000000009 | RDKit |
| Molar Refractivity | 28.929600000000008 | RDKit |
