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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
Names and Synonyms:
Cerium(Iii) Carbonate
Carbonic acid, cerium(3+) salt (3:2)
Cerium carbonate (Ce2(CO3)3)
Cerium sesquicarbonate
Cerium carbonate
Cerous carbonate
Cerium tricarbonate
Cerium(III) carbonate
Cerium carbonate (2:3)
Identifiers:
SMILES:
O=C(O)O.[Ce]
InChI:
InChI=1S/CH2O3.Ce/c2-1(3)4;/h(H2,2,3,4);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.14 g/mol | CAS Common Chemistry |
| 202.14000000000001 g/mol | RDKit | |
| 201.90583262399997 g/mol | RDKit | |
| 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 |
| Cerium(III) 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 | RDKit |
