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Vanadyl Acetylacetonate
CAS: 3153-26-2 | C10H14O5V
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3153-26-2
Molecular Formula:
C10H14O5V
Molecular Mass:
265.16 g/mol
Names and Synonyms:
Vanadyl Acetylacetonate
Vanadium, oxobis(2,4-pentanedionato-κO2,κO4)-, (SP-5-21)-
Vanadium, oxobis(2,4-pentanedionato)-
Vanadium, oxobis(2,4-pentanedionato-O,O′)-, (SP-5-21)-
Vanadium, oxobis(2,4-pentanedionato-κO,κO′)-, (SP-5-21)-
(SP-5-21)-Oxobis(2,4-pentanedionato-κO2,κO4)vanadium
Vanadyl acetylacetonate
Bis(acetylacetonato)oxovanadium(IV)
Vanadyl bis(2,4-pentanedionate)
Vanadyl bis(acetylacetonate)
Bis(acetylacetonato)oxyvanadium
Oxobis(acetylacetonato)vanadium
Oxobis(2,4-pentanedionato)vanadium
Bis(acetylacetonato)oxovanadium
Bis(2,4-pentanedionato)oxovanadium(IV)
Bis(2,4-pentanedionato)oxovanadium
Oxovanadium(II) acetylacetonate
NSC 116105
NSC 4659
NSC 52327
Nacem Vanadyl
50D
VoAA
Vanadium(IV) bis(acetylacetonato)(oxo)
Vanadium(IV) oxide bis(2,4-pentanedionate)
Vanadium oxide acetylacetonate
Bis(2,4-pentanedionato)vanadium(IV) oxide
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[O].[V+2]
InChI:
InChI=1S/2C5H7O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2
Key Properties
Melting Point
243-246 °C (decomp)
CAS Common Chemistry
Density
1.52-1.74 g/cm3
CAS Common Chemistry
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 | 265.16 g/mol | CAS Common Chemistry |
| 265.161 g/mol | RDKit | |
| 265.02808304800004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vanadyl_acetylacetonate | CAS Common Chemistry |
| Canonical SMILES | O=[V+2]12(O=C([CH-]C(=O1)C)C)O=C([CH-]C(=O2)C)C | CAS Common Chemistry |
| Density | 1.52-1.74 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=WVPMIMFMIGMEHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 243-246 °C (decomp) | CAS Common Chemistry |
| Name | Vanadyl acetylacetonate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 96.78 Ų | RDKit |
| LogP | 0.61608 | RDKit |
| Molar Refractivity | 52.01050000000003 | RDKit |
