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Molecule
Bismuth Triacetate
CAS: 22306-37-2 · C2H4BiO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22306-37-2
- Molecular Formula
- C2H4BiO2
- Molecular Mass
- 269.03 g/mol
Identifiers
CAS Registry Number
22306-37-2
SMILES
CC(=O)O.[Bi]
InChI Key
TVQVQBIJZJIIFO-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Bi/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Bismuth Triacetate Common Name
- Acetic acid, bismuth(3+) salt (3:1) Synonym
- Acetic acid, bismuth(3+) salt Synonym
- Bismuth acetate Synonym
- Bismuth triacetate Synonym
- Bismuth acetate (Bi(C2H3O2)3) Synonym
- Bismuth(3+) acetate Synonym
- Bismuth(III) acetate Synonym
- Bismuth tris(acetate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.03 g/mol | CAS Common Chemistry |
| 269.032 g/mol | RDKit | |
| 272.056 g/mol | chempirical lib | |
| Canonical SMILES | [Bi].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Bi/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=TVQVQBIJZJIIFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth triacetate | 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 | 269.00152806799997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 269.03 g/mol. Edit any field — others recompute live.
