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Barium Acetate
CAS: 543-80-6 | C2H4BaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
543-80-6
Molecular Formula:
C2H4BaO2
Molecular Mass:
197.38 g/mol
Names and Synonyms:
Barium Acetate
Acetic acid, barium salt (2:1)
Barium acetate
Acetic acid, barium salt
Barium diacetate
Barium(II) acetate
Identifiers:
SMILES:
CC(=O)O.[Ba]
InChI:
InChI=1S/C2H4O2.Ba/c1-2(3)4;/h1H3,(H,3,4);
Key Properties
Density
2.47 g/cm³
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 | 197.38 g/mol | CAS Common Chemistry |
| 197.926376568 g/mol | RDKit | |
| Density | 2.47 g/cm³ | CAS Common Chemistry |
| 2.47 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_acetate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Ba/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SFDZPIDEIFZWQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium acetate | 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 |
