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Molecule
Ammonium Oxalate Monohydrate
CAS: 6009-70-7 · C2H10N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6009-70-7
- Molecular Formula
- C2H10N2O5
- Molecular Mass
- 142.11 g/mol
Identifiers
CAS Registry Number
6009-70-7
SMILES
N.N.O.O=C(O)C(=O)O
InChI Key
MSMNVXKYCPHLLN-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
Names and Synonyms
- Ammonium Oxalate Monohydrate Synonym
- Ethanedioic acid, ammonium salt, hydrate (1:2:1) Synonym
- Oxalic acid, diammonium salt, monohydrate Synonym
- Ethanedioic acid, diammonium salt, monohydrate Synonym
- Ammonium oxalate monohydrate Synonym
- Diammonium oxalate monohydrate Synonym
- Ammonium oxalate ((NH4)2C2O4) monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.11 g/mol | CAS Common Chemistry |
| 142.111 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 |
| 176.1 Ų | RDKit | |
| LogP | -1.3451000000000009 | RDKit |
| -1.3451 | RDKit | |
| Molar Refractivity | 28.929600000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 142.05897142 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 142.11 g/mol; density = 1.500 g/mL. Edit any field — others recompute live.
