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Molecule
Beryllium Carbonate
CAS: 13106-47-3 · CH2BeO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13106-47-3
- Molecular Formula
- CH2BeO3
- Molecular Mass
- 71.04 g/mol
Identifiers
CAS Registry Number
13106-47-3
SMILES
O=C(O)O.[Be]
InChI Key
XGESORGDVIOXKW-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4);
Names and Synonyms
- Beryllium Carbonate Common Name
- Carbonic acid, beryllium salt (1:1) Synonym
- Beryllium carbonate Synonym
- Beryllium carbonate (BeCO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.04 g/mol | CAS Common Chemistry |
| 71.036 g/mol | RDKit | |
| 73.052 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Beryllium_carbonate | CAS Common Chemistry |
| Canonical SMILES | [Be].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=XGESORGDVIOXKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Beryllium 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 | -0.15839999999999999 | RDKit |
| -0.1584 | RDKit | |
| Molar Refractivity | 16.4076 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 71.01257612399999 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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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 = 71.04 g/mol. Edit any field — others recompute live.
