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Beryllium Carbonate
CAS: 13106-47-3 | CH2BeO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13106-47-3
Molecular Formula:
CH2BeO3
Molecular Weight:
71.036 g/mol
Names and Synonyms:
Beryllium Carbonate
Common Name
Beryllium carbonate (BeCO3)
Synonym
Beryllium carbonate
Synonym
Carbonic acid, beryllium salt (1:1)
Synonym
Identifiers:
SMILES:
O=C(O)O.[Be]
InChI:
InChI=1S/CH2O3.Be/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
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.036 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 71.01257612399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.15839999999999999 | RDKit |
| molecular_mass | 71.04 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Beryllium_carbonate None | Legacy Database |
| cas-canonical-smile | [Be].O=C(O)O None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=XGESORGDVIOXKW-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Beryllium carbonate None | Legacy Database |
| wikipedia-name | Beryllium carbonate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.4076 | RDKit |