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Molecule
Molybdate (Moo42-), Barium (1:1), (T-4)-
CAS: 7787-37-3 · BaMoO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7787-37-3
- Molecular Formula
- BaMoO4
- Molecular Mass
- 297.26400000000007 g/mol
Identifiers
CAS Registry Number
7787-37-3
SMILES
[Ba+2].[Mo-2].[O].[O].[O].[O]
InChI Key
YEJAOXBULQXAOJ-UHFFFAOYSA-N
InChI
InChI=1S/Ba.Mo.4O/q+2;-2;;;;
Names and Synonyms
- Molybdate (Moo42-), Barium (1:1), (T-4)- Systematic Name
- Molybdate (MoO42-), barium (1:1), (T-4)- Synonym
- Molybdic acid (H2MoO4), barium salt (1:1) Synonym
- Barium molybdate(VI) (BaMoO4) Synonym
- Barium molybdate(VI) Synonym
- Barium molybdate (BaMoO4) Synonym
- Barium molybdenum oxide (BaMoO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ba+2].O=[Mo-2](=O)(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Mo.4O/q+2;-2;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=YEJAOXBULQXAOJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Molybdate (MoO42-), barium (1:1), (T-4)- | CAS Common Chemistry |
| Molecular Mass | 297.26400000000007 g/mol | RDKit |
| 299.7903138799999 g/mol | RDKit | |
| 297.264 g/mol | RDKit | |
| 309.369 g/mol | chempirical lib | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.0 Ų | RDKit |
| LogP | -0.8585 | RDKit |
| Molar Refractivity | 8.499999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 297.26 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
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 = 297.26 g/mol. Edit any field — others recompute live.
