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Molecule
Oxodiphenylstannane
CAS: 2273-51-0 · C12H10OSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2273-51-0
- Molecular Formula
- C12H10OSn
- Molecular Mass
- 288.922 g/mol
Identifiers
CAS Registry Number
2273-51-0
SMILES
[O].[Sn].[c]1ccccc1.[c]1ccccc1
InChI Key
VPPWQRIBARKZNY-UHFFFAOYSA-N
InChI
InChI=1S/2C6H5.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;
Names and Synonyms
- Oxodiphenylstannane Common Name
- Stannane, oxodiphenyl- Synonym
- Diphenyltin oxide Synonym
- Tin, oxodiphenyl- Synonym
- Oxodiphenylstannane Synonym
- NSC 55161 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=[Sn](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H5.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;; | CAS Common Chemistry |
| InChI Key | InChIKey=VPPWQRIBARKZNY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 320 °C (decomp) | CAS Common Chemistry |
| Name | Oxodiphenylstannane | CAS Common Chemistry |
| Molecular Mass | 288.922 g/mol | RDKit |
| 289.97535964 g/mol | RDKit | |
| 294.969 g/mol | chempirical lib | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 2.47398 | RDKit |
| 2.474 | RDKit | |
| Molar Refractivity | 56.996500000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 288.92 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 288.92 g/mol. Edit any field — others recompute live.
