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Molecule
Thallous Acetate
CAS: 563-68-8 · C2H4O2Tl
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 563-68-8
- Molecular Formula
- C2H4O2Tl
- Molecular Mass
- 264.44 g/mol
Identifiers
CAS Registry Number
563-68-8
SMILES
CC(=O)O.[Tl]
InChI Key
LVAMVZXECCXUGI-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Tl/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Thallous Acetate Synonym
- Acetic acid, thallium(1+) salt (1:1) Synonym
- Acetic acid, thallium(1+) salt Synonym
- Thallium acetate (TlOAc) Synonym
- Thallium acetate Synonym
- Thallous acetate Synonym
- Thallium(1+) acetate Synonym
- Thallium monoacetate Synonym
- Thallium(I) acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.44 g/mol | CAS Common Chemistry |
| 264.995556868 g/mol | RDKit | |
| 264.435 g/mol | RDKit | |
| 265.44 g/mol | chempirical lib | |
| Density | 3.68 g/cm³ | CAS Common Chemistry |
| 3.68 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thallous_acetate | CAS Common Chemistry |
| Canonical SMILES | [Tl].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Tl/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=LVAMVZXECCXUGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Thallium(I) 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 |
| -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 | 264.435 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 264.44 g/mol; density = 3.680 g/mL. Edit any field — others recompute live.
