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Aluminium Diacetate
CAS: 142-03-0 | C4H7AlO5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
142-03-0
Molecular Formula:
C4H7AlO5
Molecular Mass:
162.08 g/mol
Names and Synonyms:
Aluminium Diacetate
Aluminum, bis(acetato-κO)hydroxy-
Aluminum, bis(acetato)hydroxy-
Aluminum, bis(acetato-O)hydroxy-
Aluminum, hydroxybis(acetato)-
Bis(acetato-κO)hydroxyaluminum
Acetic acid monobasic aluminum salt
Aluminum acetate basic
Aluminum hydroxide diacetate
Aluminum hydroxyacetate
Aluminum subacetate
Basic aluminum acetate
Hydroxyaluminum acetate
Lenicet
Aluminum hydroxydiacetate
Diacetoxyhydroxyaluminum
Monobasic aluminum diacetate
Diacetatohydroxyaluminum
Aluminum diacetate hydroxide
Aluminum acetate hydroxide (Al(OAc)2OH)
Bis(acetato)hydroxyaluminum
Essigsaure Tonerde
Identifiers:
SMILES:
CC(=O)[O-].CC(=O)[O-].[Al+3].[OH-]
InChI:
InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3
Key Properties
Density
1.05 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 | 162.08 g/mol | CAS Common Chemistry |
| 162.077 g/mol | RDKit | |
| 162.010886954 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.045 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_diacetate | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Al](O)OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=HQQUTGFAWJNQIP-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Basic aluminum acetate | CAS Common Chemistry |
| Aluminium diacetate | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.25999999999999 Ų | RDKit |
| LogP | -3.0451999999999986 | RDKit |
| Molar Refractivity | 29.051799999999993 | RDKit |
