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Molecule
Ammonium Formate
CAS: 540-69-2 · CH5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 540-69-2
- Molecular Formula
- CH5NO2
- Molecular Mass
- 63.06 g/mol
Identifiers
CAS Registry Number
540-69-2
SMILES
N.O=CO
InChI Key
VZTDIZULWFCMLS-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
Names and Synonyms
- Ammonium Formate Common Name
- Formic acid, ammonium salt (1:1) Synonym
- Formic acid, ammonium salt Synonym
- Ammonium formate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 63.06 g/mol | CAS Common Chemistry |
| 63.056000000000004 g/mol | RDKit | |
| 63.056 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.280 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_formate | CAS Common Chemistry |
| Canonical SMILES | O=CO.N | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VZTDIZULWFCMLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | Ammonium formate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | -0.13720000000000027 | RDKit |
| -0.1372 | RDKit | |
| Molar Refractivity | 13.7149 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 63.0320284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 63.06 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
