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Molecule
Tin(Ii) Oxalate
CAS: 814-94-8 · C2H2O4Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 814-94-8
- Molecular Formula
- C2H2O4Sn
- Molecular Mass
- 208.75 g/mol
Identifiers
CAS Registry Number
814-94-8
SMILES
O=C(O)C(=O)O.[Sn]
InChI Key
FGFWCOVNCKWNLU-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.Sn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);
Names and Synonyms
- Tin(Ii) Oxalate Synonym
- Ethanedioic acid, tin(2+) salt (1:1) Synonym
- Oxalic acid, tin(2+) salt (1:1) Synonym
- Tin oxalate (SnC2O4) Synonym
- Stannous oxalate Synonym
- Tin(II) oxalate Synonym
- Tin(2+) oxalate Synonym
- Fascat 2001 Synonym
- SV CAT-100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.75 g/mol | CAS Common Chemistry |
| 209.897503244 g/mol | RDKit | |
| 208.745 g/mol | RDKit | |
| 210.76 g/mol | chempirical lib | |
| Density | 3.56 g/cm³ | CAS Common Chemistry |
| 3.560 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tin(II)_oxalate | CAS Common Chemistry |
| Canonical SMILES | [Sn].O=C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.Sn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=FGFWCOVNCKWNLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 280 °C (decomp) | CAS Common Chemistry |
| Name | Stannous oxalate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -1.2251999999999998 | RDKit |
| -1.2252 | RDKit | |
| Molar Refractivity | 21.025599999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 208.745 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 208.75 g/mol; density = 3.560 g/mL. Edit any field — others recompute live.
