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Molecule
Lanthanum Acetate
CAS: 917-70-4 · C2H4LaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 917-70-4
- Molecular Formula
- C2H4LaO2
- Molecular Mass
- 198.96 g/mol
Identifiers
CAS Registry Number
917-70-4
SMILES
CC(=O)O.[La]
InChI Key
OPLYJBURBHOMOC-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.La/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Lanthanum Acetate Synonym
- Acetic acid, lanthanum(3+) salt (3:1) Synonym
- Acetic acid, lanthanum(3+) salt Synonym
- Lanthanum acetate Synonym
- Lanthanum acetate (La(OAc)3) Synonym
- Lanthanum triacetate Synonym
- Lanthanum(3+) acetate Synonym
- Lanthanum(III) acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.96 g/mol | CAS Common Chemistry |
| 198.95800000000003 g/mol | RDKit | |
| 198.958 g/mol | RDKit | |
| 201.981 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lanthanum_acetate | CAS Common Chemistry |
| Canonical SMILES | [La].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.La/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=OPLYJBURBHOMOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lanthanum 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 | 198.927482668 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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 = 198.96 g/mol. Edit any field — others recompute live.
