Back to Search
[Ethanedioato(2-)-Κo1,Κo2]Oxovanadium
CAS: 15500-04-6 | C2O5V
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15500-04-6
Molecular Formula:
C2O5V
Molecular Weight:
154.96099999999998 g/mol
Names and Synonyms:
[Ethanedioato(2-)-Κo1,Κo2]Oxovanadium
Vanadium, [ethanedioato(2-)-κO1,κO2]oxo-
Vanadium, (oxalato)oxo-
Vanadium, [ethanedioato(2-)-O,O′]oxo-
Vanadyl oxalate
[Ethanedioato(2-)-κO1,κO2]oxovanadium
Vanadyl oxalate (VOC2O4)
Oxalic acid vanadyl(2+) salt (1:1)
Vanadium oxalate oxide (V(C2O4)O)
Identifiers:
SMILES:
O=C([O-])C(=O)[O-].[O].[V+2]
InChI:
InChI=1S/C2H2O4.O.V/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.96 g/mol | Legacy Database |
| cas-canonical-smile | O=C1O[V](=O)OC1=O | Legacy Database | |
| cas-inchi | InChI=1S/C2H2O4.O.V/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;;+2/p-2 | Legacy Database | |
| cas-inchi-key | InChIKey=SJDXYUDKQYOEES-UHFFFAOYSA-L | Legacy Database | |
| cas-name | [Ethanedioato(2-)-κO1,κO2]oxovanadium | Legacy Database | |
| LogP | -3.6351 | RDKit | |
| Molecular | Molecular Weight | 154.96099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.9185326 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 108.75999999999999 Ų | RDKit |
| Molar | Molar Refractivity | 10.7005 | RDKit |
