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Molecule
Lutetium(Iii) Acetate
CAS: 18779-08-3 · C2H4LuO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18779-08-3
- Molecular Formula
- C2H4LuO2
- Molecular Mass
- 235.02 g/mol
Identifiers
CAS Registry Number
18779-08-3
SMILES
CC(=O)O.[Lu]
InChI Key
WXHWNEZDKCJUFF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Lu/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Lutetium(Iii) Acetate Common Name
- Acetic acid, lutetium(3+) salt (3:1) Synonym
- Acetic acid, lutetium(3+) salt Synonym
- Lutetium acetate Synonym
- Lutetium triacetate Synonym
- Lutetium(3+) acetate Synonym
- Lutetium(III) acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 235.02 g/mol | CAS Common Chemistry |
| 235.019 g/mol | RDKit | |
| 238.043 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lutetium(III)_acetate | CAS Common Chemistry |
| Canonical SMILES | [Lu].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Lu/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=WXHWNEZDKCJUFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lutetium acetate | 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 | 0.09089999999999993 | RDKit |
| 0.0909 | RDKit | |
| Molar Refractivity | 13.309800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 234.961901168 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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
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MW = 235.02 g/mol. Edit any field — others recompute live.
