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Aluminum Barium Oxide (Al2Bao4)
CAS: 12004-04-5 | AlBaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12004-04-5
Molecular Formula:
AlBaO
Molecular Mass:
180.31 g/mol
Names and Synonyms:
Aluminum Barium Oxide (Al2Bao4)
Aluminum barium oxide (Al2BaO4)
Aluminum barium oxide (BaAl2O4)
Barium aluminate (BaAl2O4)
Barium aluminum oxide (BaAl2O4)
Barium aluminate (Ba(AlO2)2)
Barium metaaluminate
Identifiers:
SMILES:
[Al].[Ba].[O]
InChI:
InChI=1S/Al.Ba.O
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.31 g/mol | CAS Common Chemistry |
| 180.309 g/mol | RDKit | |
| 180.88170044999998 g/mol | RDKit | |
| Canonical SMILES | [O].[Al].[Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Al.Ba.O | CAS Common Chemistry |
| InChI Key | InChIKey=RIRRJJDDFCEJDP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum barium oxide (Al2BaO4) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.8804000000000001 | RDKit |
| Molar Refractivity | 12.1945 | RDKit |
