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Molecule
[Ethanedioato(2-)-Κo1,Κo2]Oxovanadium
CAS: 15500-04-6 · C2O5V
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15500-04-6
- Molecular Formula
- C2O5V
- Molecular Mass
- 154.96 g/mol
Identifiers
CAS Registry Number
15500-04-6
SMILES
O=C([O-])C(=O)[O-].[O].[V+2]
InChI Key
SJDXYUDKQYOEES-UHFFFAOYSA-L
InChI
InChI=1S/C2H2O4.O.V/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;;+2/p-2
Names and Synonyms
- [Ethanedioato(2-)-Κo1,Κo2]Oxovanadium Synonym
- Vanadium, [ethanedioato(2-)-κO1,κO2]oxo- Synonym
- Vanadium, (oxalato)oxo- Synonym
- Vanadium, [ethanedioato(2-)-O,O′]oxo- Synonym
- Vanadyl oxalate Synonym
- [Ethanedioato(2-)-κO1,κO2]oxovanadium Synonym
- Vanadyl oxalate (VOC2O4) Synonym
- Oxalic acid vanadyl(2+) salt (1:1) Synonym
- Vanadium oxalate oxide (V(C2O4)O) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.96 g/mol | CAS Common Chemistry |
| 154.96099999999998 g/mol | RDKit | |
| 154.961 g/mol | RDKit | |
| 161.007 g/mol | chempirical lib | |
| Canonical SMILES | O=C1O[V](=O)OC1=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.O.V/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=SJDXYUDKQYOEES-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | [Ethanedioato(2-)-κO1,κO2]oxovanadium | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 108.75999999999999 Ų | RDKit |
| 108.76 Ų | RDKit | |
| LogP | -3.6351 | RDKit |
| Molar Refractivity | 10.7005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 154.9185326 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 154.96 g/mol. Edit any field — others recompute live.
