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Molecule
Vanadyl Acetylacetonate
CAS: 3153-26-2 · C10H14O5V
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3153-26-2
- Molecular Formula
- C10H14O5V
- Molecular Mass
- 265.16 g/mol
Identifiers
CAS Registry Number
3153-26-2
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[O].[V+2]
InChI Key
WVPMIMFMIGMEHW-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2
Names and Synonyms
- Vanadyl Acetylacetonate Common Name
- Vanadium, oxobis(2,4-pentanedionato-κO2,κO4)-, (SP-5-21)- Synonym
- Vanadium, oxobis(2,4-pentanedionato)- Synonym
- Vanadium, oxobis(2,4-pentanedionato-O,O′)-, (SP-5-21)- Synonym
- Vanadium, oxobis(2,4-pentanedionato-κO,κO′)-, (SP-5-21)- Synonym
- (SP-5-21)-Oxobis(2,4-pentanedionato-κO2,κO4)vanadium Synonym
- Vanadyl acetylacetonate Synonym
- Bis(acetylacetonato)oxovanadium(IV) Synonym
- Vanadyl bis(2,4-pentanedionate) Synonym
- Vanadyl bis(acetylacetonate) Synonym
- Bis(acetylacetonato)oxyvanadium Synonym
- Oxobis(acetylacetonato)vanadium Synonym
- Oxobis(2,4-pentanedionato)vanadium Synonym
- Bis(acetylacetonato)oxovanadium Synonym
- Bis(2,4-pentanedionato)oxovanadium(IV) Synonym
- Bis(2,4-pentanedionato)oxovanadium Synonym
- Oxovanadium(II) acetylacetonate Synonym
- NSC 116105 Synonym
- NSC 4659 Synonym
- NSC 52327 Synonym
- Nacem Vanadyl Synonym
- 50D Synonym
- VoAA Synonym
- Vanadium(IV) bis(acetylacetonato)(oxo) Synonym
- Vanadium(IV) oxide bis(2,4-pentanedionate) Synonym
- Vanadium oxide acetylacetonate Synonym
- Bis(2,4-pentanedionato)vanadium(IV) oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.16 g/mol | CAS Common Chemistry |
| 265.161 g/mol | RDKit | |
| 271.207 g/mol | chempirical lib | |
| 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 |
| 0.6161 | RDKit | |
| Molar Refractivity | 52.01050000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 265.02808304800004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 265.16 g/mol. Edit any field — others recompute live.
