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Molecule
Acetic Acid, Beryllium Salt
CAS: 543-81-7 · C2H4BeO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 543-81-7
- Molecular Formula
- C2H4BeO2
- Molecular Mass
- 69.06 g/mol
Identifiers
CAS Registry Number
543-81-7
SMILES
CC(=O)O.[Be]
InChI Key
CZKPRNJYMSPGIW-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Be/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Acetic Acid, Beryllium Salt Systematic Name
- Acetic acid, beryllium salt Synonym
- Beryllium acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Beryllium_acetate | CAS Common Chemistry |
| Molecular Mass | 69.06 g/mol | CAS Common Chemistry |
| 69.06400000000001 g/mol | RDKit | |
| 69.064 g/mol | RDKit | |
| 71.08 g/mol | chempirical lib | |
| Canonical SMILES | [Be].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Be/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=CZKPRNJYMSPGIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C (decomp) | CAS Common Chemistry |
| Name | Acetic acid, beryllium salt | 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 | -0.2899000000000001 | RDKit |
| -0.2899 | RDKit | |
| Molar Refractivity | 19.063799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 69.033311568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 69.06 g/mol. Edit any field — others recompute live.
