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Molecule
Tin Tetraacetate
CAS: 2800-96-6 · C2H4O2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2800-96-6
- Molecular Formula
- C2H4O2Sn
- Molecular Mass
- 178.763 g/mol
Identifiers
CAS Registry Number
2800-96-6
SMILES
CC(=O)O.[Sn]
InChI Key
FENSZQTZBXOKBB-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Sn/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Tin Tetraacetate Common Name
- Acetic acid, tin(4+) salt Synonym
- Tin acetate (Sn(OAc)4) Synonym
- Tin acetate Synonym
- Tin(IV) acetate Synonym
- Tin tetraacetate Synonym
- Stannic acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Sn].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Sn/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=FENSZQTZBXOKBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 232-233 °C | CAS Common Chemistry |
| Name | Tin tetraacetate | CAS Common Chemistry |
| Molecular Mass | 178.763 g/mol | RDKit |
| 179.923324068 g/mol | RDKit | |
| 180.778 g/mol | chempirical lib | |
| 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 | 178.76 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 178.76 g/mol. Edit any field — others recompute live.
