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Molecule
Gadolinium
CAS: 7440-54-2 · Gd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7440-54-2
- Molecular Formula
- Gd
- Molecular Mass
- 157.25 g/mol
Identifiers
CAS Registry Number
7440-54-2
SMILES
[Gd]
InChI Key
UIWYJDYFSGRHKR-UHFFFAOYSA-N
InChI
InChI=1S/Gd
Names and Synonyms
- Gadolinium Common Name
- Gadolinium Synonym
- Gado CELLTrack Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 4.71 g/cm³ | CAS Common Chemistry |
| 4.71 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Gd] | CAS Common Chemistry |
| InChI | InChI=1S/Gd | CAS Common Chemistry |
| InChI Key | InChIKey=UIWYJDYFSGRHKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1313 °C (polymorph) | CAS Common Chemistry |
| Name | Gadolinium | CAS Common Chemistry |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Molecular Mass | 157.25 g/mol | RDKit |
| 157.9241039 g/mol | RDKit | |
| 160.274 g/mol | chempirical lib | |
| Heavy Atom Count | 1 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.0 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.25 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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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Quick conversion
MW = 157.25 g/mol; density = 4.710 g/mL. Edit any field — others recompute live.
