Back to Search
Molecule
Calcium Telluride (Cate)
CAS: 12013-57-9 · CaTe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12013-57-9
- Molecular Formula
- CaTe
- Molecular Mass
- 167.68 g/mol
Identifiers
CAS Registry Number
12013-57-9
SMILES
[Ca].[Te]
InChI Key
UFTQLBVSSQWOKD-UHFFFAOYSA-N
InChI
InChI=1S/Ca.Te
Names and Synonyms
- Calcium Telluride (Cate) Common Name
- Calcium telluride (CaTe) Synonym
- Calcium telluride Synonym
- Calcium telluride (Ca0.50Te0.50) Synonym
- Calcium monotelluride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.68 g/mol | CAS Common Chemistry |
| 169.86881538 g/mol | RDKit | |
| 167.678 g/mol | RDKit | |
| 171.71 g/mol | chempirical lib | |
| Canonical SMILES | [Ca]=[Te] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.Te | CAS Common Chemistry |
| InChI Key | InChIKey=UFTQLBVSSQWOKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium telluride (CaTe) | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | -0.7616 | RDKit |
| Molar Refractivity | 11.508 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 167.678 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
Convert
Quick conversion
MW = 167.68 g/mol. Edit any field — others recompute live.
