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Molecule
Cerium(Iii) Carbonate
CAS: 537-01-9 · CH2CeO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 537-01-9
- Molecular Formula
- CH2CeO3
- Molecular Mass
- 202.14 g/mol
Identifiers
CAS Registry Number
537-01-9
SMILES
O=C(O)O.[Ce]
InChI Key
HDXXSUQVQKJEBI-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.Ce/c2-1(3)4;/h(H2,2,3,4);
Names and Synonyms
- Cerium(Iii) Carbonate Synonym
- Carbonic acid, cerium(3+) salt (3:2) Synonym
- Cerium carbonate (Ce2(CO3)3) Synonym
- Cerium sesquicarbonate Synonym
- Cerium carbonate Synonym
- Cerous carbonate Synonym
- Cerium tricarbonate Synonym
- Cerium(III) carbonate Synonym
- Cerium carbonate (2:3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.14 g/mol | CAS Common Chemistry |
| 202.14000000000001 g/mol | RDKit | |
| 205.164 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cerium(III)_carbonate | CAS Common Chemistry |
| Canonical SMILES | [Ce].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Ce/c2-1(3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=HDXXSUQVQKJEBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cerium carbonate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.2224 | RDKit |
| Molar Refractivity | 10.6536 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 201.90583262399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 202.14 g/mol. Edit any field — others recompute live.
