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Tin(Ii) Oxalate
CAS: 814-94-8 | C2H2O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
814-94-8
Molecular Formula:
C2H2O4Sn
Molecular Mass:
208.75 g/mol
Names and Synonyms:
Tin(Ii) Oxalate
Ethanedioic acid, tin(2+) salt (1:1)
Oxalic acid, tin(2+) salt (1:1)
Tin oxalate (SnC2O4)
Stannous oxalate
Tin(II) oxalate
Tin(2+) oxalate
Fascat 2001
SV CAT-100
Identifiers:
SMILES:
O=C(O)C(=O)O.[Sn]
InChI:
InChI=1S/C2H2O4.Sn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);
Key Properties
Melting Point
280 °C (decomp)
CAS Common Chemistry
Density
3.56 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.75 g/mol | CAS Common Chemistry |
| 208.745 g/mol | RDKit | |
| 209.897503244 g/mol | RDKit | |
| 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 |
| Tin(II) 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 |
| Molar Refractivity | 21.025599999999997 | RDKit |
