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Molecule
Aluminium Lactate
CAS: 18917-91-4 · C9H15AlO9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18917-91-4
- Molecular Formula
- C9H15AlO9
- Molecular Mass
- 294.19 g/mol
Identifiers
CAS Registry Number
18917-91-4
SMILES
CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Al+3]
InChI Key
VXYADVIJALMOEQ-UHFFFAOYSA-K
InChI
InChI=1S/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
Names and Synonyms
- Aluminium Lactate Common Name
- Aluminum, tris[2-(hydroxy-κO)propanoato-κO]- Synonym
- Aluminum, tris(lactato)- Synonym
- Aluminum, tris(2-hydroxypropanoato-O1,O2)- Synonym
- Aluminum lactate (Al(O3C3H5)3) Synonym
- Aluminum lactate Synonym
- Propanoic acid, 2-hydroxy-, aluminum complex Synonym
- Tris[2-(hydroxy-κO)propanoato-κO]aluminum Synonym
- Aluminum tris(α-hydroxypropionate) Synonym
- 2500F Synonym
- Takiceram Synonym
- Lohtragon AL 250 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 294.19 g/mol | CAS Common Chemistry |
| 294.192 g/mol | RDKit | |
| 300.24 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_lactate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Al+3]23([O-]C(=O)C([OH]2)C)([O-]C(=O)C([OH]3)C)[OH]C1C | CAS Common Chemistry |
| InChI | InChI=1S/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=VXYADVIJALMOEQ-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Tris[2-(hydroxy-κO)propanoato-κO]aluminum | CAS Common Chemistry |
| Aluminium lactate | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 181.07999999999998 Ų | RDKit |
| 181.08 Ų | RDKit | |
| LogP | -6.029499999999996 | RDKit |
| -6.0295 | RDKit | |
| Molar Refractivity | 55.81740000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 294.05314569000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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
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MW = 294.19 g/mol. Edit any field — others recompute live.
