Back to Search
Molecule
Aluminium Diacetate
CAS: 142-03-0 · C4H7AlO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 142-03-0
- Molecular Formula
- C4H7AlO5
- Molecular Mass
- 162.08 g/mol
Identifiers
CAS Registry Number
142-03-0
SMILES
CC(=O)[O-].CC(=O)[O-].[Al+3].[OH-]
InChI Key
HQQUTGFAWJNQIP-UHFFFAOYSA-K
InChI
InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3
Names and Synonyms
- Aluminium Diacetate Synonym
- Aluminum, bis(acetato-κO)hydroxy- Synonym
- Aluminum, bis(acetato)hydroxy- Synonym
- Aluminum, bis(acetato-O)hydroxy- Synonym
- Aluminum, hydroxybis(acetato)- Synonym
- Bis(acetato-κO)hydroxyaluminum Synonym
- Acetic acid monobasic aluminum salt Synonym
- Aluminum acetate basic Synonym
- Aluminum hydroxide diacetate Synonym
- Aluminum hydroxyacetate Synonym
- Aluminum subacetate Synonym
- Basic aluminum acetate Synonym
- Hydroxyaluminum acetate Synonym
- Lenicet Synonym
- Aluminum hydroxydiacetate Synonym
- Diacetoxyhydroxyaluminum Synonym
- Monobasic aluminum diacetate Synonym
- Diacetatohydroxyaluminum Synonym
- Aluminum diacetate hydroxide Synonym
- Aluminum acetate hydroxide (Al(OAc)2OH) Synonym
- Bis(acetato)hydroxyaluminum Synonym
- Essigsaure Tonerde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.08 g/mol | CAS Common Chemistry |
| 162.077 g/mol | RDKit | |
| 168.125 g/mol | chempirical lib | |
| 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 |
| 110.26 Ų | RDKit | |
| LogP | -3.0451999999999986 | RDKit |
| -3.0452 | RDKit | |
| Molar Refractivity | 29.051799999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 162.010886954 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 162.08 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
