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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
Names and Synonyms:
Bis(Acetylacetonato)Dioxomolybdenum
Molybdenum, dioxobis(2,4-pentanedionato-κO2,κO4)-, (OC-6-21)-
Molybdenum, dioxobis(2,4-pentanedionato)-
Molybdenum, dioxobis(2,4-pentanedionato-O,O′)-, (OC-6-21)-
Molybdenum, dioxobis(2,4-pentanedionato-κO,κO′)-, (OC-6-21)-
(OC-6-21)-Dioxobis(2,4-pentanedionato-κO2,κO4)molybdenum
Bis(acetylacetonato)molybdenum dioxide
Molybdenum dioxide bis(acetylacetonate)
Dioxobis(2,4-pentanedionato)molybdenum
Dioxomolybdenum(VI) acetylacetonate
Bis(acetylacetonato)dioxomolybdenum
Molybdenyl acetylacetonate
Molybdenum dioxydiacetylacetonate
Bis(acetoacetonato)dioxomolybdenum
Dioxobis(2,4-pentanedionato-O,O′)molybdenum
Dioxobis(2,4-pentanedionato)molybdenum(VI)
cis-Dioxobis(2,4-pentanedionato)molybdenum
cis-Bis(acetylacetonato)dioxomolybdenum
Dioxomolybdenum bis(acetylacetonate)
Bis(acetylacetonate)dioxomolybdenum
NSC 52176
Dioxomolybdenum(VI) bis(acetylacetonate)
Bis(acetylacetonato)dioxomolybdenum(VI)
Bis(2,4-pentanedionato)dioxomolybdenum
Molybdenum diacetylacetonate dioxide
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Mo+2].[O].[O]
InChI:
InChI=1S/2C5H7O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H,1-2H3;;;/q2*-1;+2;;
Key Properties
Melting Point
181 °C (decomp)
CAS Common Chemistry
Density
1.64 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 | 326.16 g/mol | CAS Common Chemistry |
| 326.15600000000006 g/mol | RDKit | |
| 327.98444636799996 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 52.69700000000003 | RDKit |
