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Molecule
Zirconium
CAS: 7440-67-7 · Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7440-67-7
- Molecular Formula
- Zr
- Molecular Mass
- 91.22 g/mol
Identifiers
CAS Registry Number
7440-67-7
SMILES
[Zr]
InChI Key
QCWXUUIWCKQGHC-UHFFFAOYSA-N
InChI
InChI=1S/Zr
Names and Synonyms
- Zirconium Synonym
- Zirconium Synonym
- Zirconium element Synonym
- ZREO 2PB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 91.22 g/mol | CAS Common Chemistry |
| 91.224 g/mol | RDKit | |
| 95.256 g/mol | chempirical lib | |
| Density | 6.49 g/cm³ | CAS Common Chemistry |
| 6.49 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 3577 °C | CAS Common Chemistry |
| Canonical SMILES | [Zr] | CAS Common Chemistry |
| InChI | InChI=1S/Zr | CAS Common Chemistry |
| InChI Key | InChIKey=QCWXUUIWCKQGHC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1857 °C | CAS Common Chemistry |
| Name | Zirconium | CAS Common Chemistry |
| 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 | -0.0025 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 89.9047044 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 91.22 g/mol; density = 6.490 g/mL. Edit any field — others recompute live.
