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Vanadium, Oxo[Sulfato(2-)-Κo]-, Hydrate (1:5)
CAS: 12439-96-2 | H10O10SV
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
12439-96-2
Molecular Formula:
H10O10SV
Molecular Mass:
253.08 g/mol
Names and Synonyms:
Vanadium, Oxo[Sulfato(2-)-Κo]-, Hydrate (1:5)
Vanadium, oxo[sulfato(2-)-κO]-, hydrate (1:5)
Vanadium, oxosulfato-, pentahydrate
Vanadium, oxo[sulfato(2-)-O]-, pentahydrate
Vanadium, oxo[sulfato(2-)-κO]-, pentahydrate
Sulfuric acid, vanadium complex
Vanadyl sulfate pentahydrate (VOSO4.5H2O)
Vanadyl sulfate (VOSO4), pentahydrate
vanadium oxide sulfate (VO(SO4)) pentahydrate
Identifiers:
SMILES:
O.O.O.O.O.O=S(=O)([O-])[O-].[O].[V+2]
InChI:
InChI=1S/H2O4S.5H2O.O.V/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);5*1H2;;/q;;;;;;;+2/p-2
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 | 253.08 g/mol | CAS Common Chemistry |
| 253.08099999999996 g/mol | RDKit | |
| 252.94342702 g/mol | RDKit | |
| Canonical SMILES | O=[V+2][O-]S(=O)(=O)[O-].O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S.5H2O.O.V/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);5*1H2;;/q;;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=YGYBXHQARYQUAY-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Vanadium, oxo[sulfato(2-)-κO]-, hydrate (1:5) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 266.26 Ų | RDKit |
| LogP | -5.582799999999997 | RDKit |
| Molar Refractivity | 29.230099999999997 | RDKit |
