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Molecule
Bis(Acetylacetonato)Dioxomolybdenum
CAS: 17524-05-9 · C10H14MoO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17524-05-9
- Molecular Formula
- C10H14MoO6
- Molecular Mass
- 326.16 g/mol
Identifiers
CAS Registry Number
17524-05-9
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Mo+2].[O].[O]
InChI Key
PWDOIKXKCJKICU-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H,1-2H3;;;/q2*-1;+2;;
Names and Synonyms
- Bis(Acetylacetonato)Dioxomolybdenum Synonym
- Molybdenum, dioxobis(2,4-pentanedionato-κO2,κO4)-, (OC-6-21)- Synonym
- Molybdenum, dioxobis(2,4-pentanedionato)- Synonym
- Molybdenum, dioxobis(2,4-pentanedionato-O,O′)-, (OC-6-21)- Synonym
- Molybdenum, dioxobis(2,4-pentanedionato-κO,κO′)-, (OC-6-21)- Synonym
- (OC-6-21)-Dioxobis(2,4-pentanedionato-κO2,κO4)molybdenum Synonym
- Bis(acetylacetonato)molybdenum dioxide Synonym
- Molybdenum dioxide bis(acetylacetonate) Synonym
- Dioxobis(2,4-pentanedionato)molybdenum Synonym
- Dioxomolybdenum(VI) acetylacetonate Synonym
- Bis(acetylacetonato)dioxomolybdenum Synonym
- Molybdenyl acetylacetonate Synonym
- Molybdenum dioxydiacetylacetonate Synonym
- Bis(acetoacetonato)dioxomolybdenum Synonym
- Dioxobis(2,4-pentanedionato-O,O′)molybdenum Synonym
- Dioxobis(2,4-pentanedionato)molybdenum(VI) Synonym
- cis-Dioxobis(2,4-pentanedionato)molybdenum Synonym
- cis-Bis(acetylacetonato)dioxomolybdenum Synonym
- Dioxomolybdenum bis(acetylacetonate) Synonym
- Bis(acetylacetonate)dioxomolybdenum Synonym
- NSC 52176 Synonym
- Dioxomolybdenum(VI) bis(acetylacetonate) Synonym
- Bis(acetylacetonato)dioxomolybdenum(VI) Synonym
- Bis(2,4-pentanedionato)dioxomolybdenum Synonym
- Molybdenum diacetylacetonate dioxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.16 g/mol | CAS Common Chemistry |
| 326.15600000000006 g/mol | RDKit | |
| 327.98444636799996 g/mol | RDKit | |
| 334.23 g/mol | chempirical lib | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.640 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=[Mo+2]12(=O)(O=C([CH-]C(=O1)C)C)O=C([CH-]C(=O2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H,1-2H3;;;/q2*-1;+2;; | CAS Common Chemistry |
| InChI Key | InChIKey=PWDOIKXKCJKICU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181 °C (decomp) | CAS Common Chemistry |
| Name | Bis(acetylacetonato)dioxomolybdenum | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 125.28 Ų | RDKit |
| LogP | 0.49727999999999994 | RDKit |
| 0.4973 | RDKit | |
| Molar Refractivity | 52.69700000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 326.156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 326.16 g/mol; density = 1.640 g/mL. Edit any field — others recompute live.
