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Molecule
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
Identifiers
CAS Registry Number
27774-13-6
SMILES
O=S(=O)([O-])[O-].[O].[V+2]
InChI Key
UUUGYDOQQLOJQA-UHFFFAOYSA-L
InChI
InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2
Names and Synonyms
- Vanadyl Sulfate Common Name
- Vanadium, oxo[sulfato(2-)-κO]- Synonym
- Vanadium, oxosulfato- Synonym
- Vanadium, oxo[sulfato(2-)-O]- Synonym
- Vanadyl sulfate (VO(SO4)) Synonym
- Oxo[sulfato(2-)-κO]vanadium Synonym
- C.I. 77940 Synonym
- Vanadium oxide sulfate (VO(SO4)) Synonym
- Vanadium oxosulfate Synonym
- Vanadium oxysulfate (VOSO4) Synonym
- Oxo(sulfato)vanadium Synonym
- Vanadyl monosulfate Synonym
- Vanadyl sulfate Synonym
- Oxovanadium(IV) sulfate Synonym
- Vanadium sulfate (VO(SO4)) Synonym
- CPR 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.00 g/mol | CAS Common Chemistry |
| 163.00599999999997 g/mol | RDKit | |
| 163.006 g/mol | RDKit | |
| 169.045 g/mol | chempirical lib | |
| 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 |
| -1.4593 | RDKit | |
| Molar Refractivity | 11.161100000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 162.89060360000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 163.00 g/mol. Edit any field — others recompute live.
