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Aluminium Triacetate
CAS: 139-12-8 | C2H4AlO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-12-8
Molecular Formula:
C2H4AlO2
Molecular Mass:
87.03 g/mol
Names and Synonyms:
Aluminium Triacetate
Acetic acid, aluminum salt (3:1)
Acetic acid, aluminum salt
Aluminum acetate
Aluminium acetate
Aluminum triacetate
Burow solution
Aluminum(III) acetate
Burow's solution
Aluminum acetate solution
Domeboro
Buro-Sol Concentrate
Identifiers:
SMILES:
CC(=O)O.[Al]
InChI:
InChI=1S/C2H4O2.Al/c1-2(3)4;/h1H3,(H,3,4);
Key Properties
Density
1.00 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 | 87.03 g/mol | CAS Common Chemistry |
| 87.034 g/mol | RDKit | |
| 87.002667998 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.002 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_triacetate | CAS Common Chemistry |
| Canonical SMILES | [Al].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Al/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=HDOAYHNQJVFBOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum acetate | CAS Common Chemistry |
| Aluminium triacetate | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2899000000000001 | RDKit |
| Molar Refractivity | 19.063799999999997 | RDKit |
