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Molecule
Formamide, N-Formyl-, Sodium Salt
CAS: 18197-26-7 · C2H3NNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18197-26-7
- Molecular Formula
- C2H3NNaO2
- Molecular Mass
- 96.04 g/mol
Identifiers
CAS Registry Number
18197-26-7
SMILES
O=CN=CO.[Na]
InChI Key
XSOUHKNGENPZMH-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NO2.Na/c4-1-3-2-5;/h1-2H,(H,3,4,5);
Names and Synonyms
- Formamide, N-Formyl-, Sodium Salt Synonym
- Formamide, N-formyl-, sodium salt Synonym
- Diformamide, sodium salt Synonym
- Sodium diformamide Synonym
- Sodium diformylamide Synonym
- Diformylimide sodium salt Synonym
- Diformylamine sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.04 g/mol | CAS Common Chemistry |
| 96.041 g/mol | RDKit | |
| 97.049 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=CNC=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H3NO2.Na/c4-1-3-2-5;/h1-2H,(H,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=XSOUHKNGENPZMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242 °C | CAS Common Chemistry |
| Name | Formamide, N-formyl-, sodium salt | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | -0.6517 | RDKit |
| Molar Refractivity | 22.938799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 96.006147616 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 = 96.04 g/mol. Edit any field — others recompute live.
