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Molecule
Cerium(Iii) Acetate
CAS: 537-00-8 · C2H4CeO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 537-00-8
- Molecular Formula
- C2H4CeO2
- Molecular Mass
- 200.17 g/mol
Identifiers
CAS Registry Number
537-00-8
SMILES
CC(=O)O.[Ce]
InChI Key
CGLIWEFNRJOUKT-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Ce/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Cerium(Iii) Acetate Synonym
- Acetic acid, cerium(3+) salt (3:1) Synonym
- Acetic acid, cerium(3+) salt Synonym
- Cerium acetate Synonym
- Cerous acetate Synonym
- Cerium(III) acetate Synonym
- Cerium triacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.17 g/mol | CAS Common Chemistry |
| 200.168 g/mol | RDKit | |
| 203.192 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cerium(III)_acetate | CAS Common Chemistry |
| Canonical SMILES | [Ce].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Ce/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=CGLIWEFNRJOUKT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cerium acetate | CAS Common Chemistry |
| Cerium(III) 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 | 199.926568068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 200.17 g/mol. Edit any field — others recompute live.
