Back to Search
Molecule
Vanadate (Vo44-), Barium (1:2), (T-4)-
CAS: 39416-30-3 · BaOV
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 39416-30-3
- Molecular Formula
- BaOV
- Molecular Mass
- 204.27100000000002 g/mol
Identifiers
CAS Registry Number
39416-30-3
SMILES
[Ba].[O].[V]
InChI Key
PGOGMERQHOCOLH-UHFFFAOYSA-N
InChI
InChI=1S/Ba.O.V
Names and Synonyms
- Vanadate (Vo44-), Barium (1:2), (T-4)- Synonym
- Vanadate (VO44-), barium (1:2), (T-4)- Synonym
- Barium vanadium oxide (Ba2VO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [O].[V].[Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.O.V | CAS Common Chemistry |
| InChI Key | InChIKey=PGOGMERQHOCOLH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vanadate (VO44-), barium (1:2), (T-4)- | CAS Common Chemistry |
| Molecular Mass | 204.27100000000002 g/mol | RDKit |
| 204.84412132 g/mol | RDKit | |
| 204.271 g/mol | RDKit | |
| 210.316 g/mol | chempirical lib | |
| 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 | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 204.27 g/mol | CAS Common Chemistry |
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 = 204.27 g/mol. Edit any field — others recompute live.
