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Vanadyl Sulfate
CAS: 27774-13-6 | O5SV
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27774-13-6
Molecular Formula:
O5SV
Molecular Mass:
163.00 g/mol
Names and Synonyms:
Vanadyl Sulfate
Vanadium, oxo[sulfato(2-)-κO]-
Vanadium, oxosulfato-
Vanadium, oxo[sulfato(2-)-O]-
Vanadyl sulfate (VO(SO4))
Oxo[sulfato(2-)-κO]vanadium
C.I. 77940
Vanadium oxide sulfate (VO(SO4))
Vanadium oxosulfate
Vanadium oxysulfate (VOSO4)
Oxo(sulfato)vanadium
Vanadyl monosulfate
Vanadyl sulfate
Oxovanadium(IV) sulfate
Vanadium sulfate (VO(SO4))
CPR 100
Identifiers:
SMILES:
O=S(=O)([O-])[O-].[O].[V+2]
InChI:
InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/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 | 163.00 g/mol | CAS Common Chemistry |
| 163.00599999999997 g/mol | RDKit | |
| 162.89060360000002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vanadyl_sulfate | CAS Common Chemistry |
| Canonical SMILES | O=[V+2][O-]S(=O)(=O)[O-] | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=UUUGYDOQQLOJQA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Vanadyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 108.76 Ų | RDKit |
| LogP | -1.4592999999999996 | RDKit |
| Molar Refractivity | 11.161100000000001 | RDKit |
