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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
Names and Synonyms:
Acetic Acid, Beryllium Salt
Acetic acid, beryllium salt
Beryllium acetate
Identifiers:
SMILES:
CC(=O)O.[Be]
InChI:
InChI=1S/C2H4O2.Be/c1-2(3)4;/h1H3,(H,3,4);
Key Properties
Melting Point
>300 °C (decomp)
CAS Common Chemistry
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 | 69.06 g/mol | CAS Common Chemistry |
| 69.06400000000001 g/mol | RDKit | |
| 69.033311568 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 19.063799999999997 | RDKit |
