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Molecule
Calcium Tin Oxide (Casno3)
CAS: 12013-46-6 · CaOSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12013-46-6
- Molecular Formula
- CaOSn
- Molecular Mass
- 174.79 g/mol
Identifiers
CAS Registry Number
12013-46-6
SMILES
[Ca].[O].[Sn]
InChI Key
CFNRFAOSCIVDQM-UHFFFAOYSA-N
InChI
InChI=1S/Ca.O.Sn
Names and Synonyms
- Calcium Tin Oxide (Casno3) Common Name
- Calcium tin oxide (CaSnO3) Synonym
- Calcium stannate(IV) (CaSnO3) Synonym
- Stannate (SnO32-), calcium (1:1) Synonym
- Tin calcium oxide (SnCaO3) Synonym
- Calcium tin trioxide Synonym
- Calcium stannate (CaSnO3) Synonym
- Calcium tin oxide Synonym
- Tin calcium oxide Synonym
- Calcium stannate Synonym
- CAF 03PB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.79 g/mol | CAS Common Chemistry |
| 175.8597003 g/mol | RDKit | |
| 174.788 g/mol | RDKit | |
| 180.835 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Ca].[Sn] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.O.Sn | CAS Common Chemistry |
| InChI Key | InChIKey=CFNRFAOSCIVDQM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium tin oxide (CaSnO3) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.8804000000000001 | RDKit |
| -0.8804 | RDKit | |
| Molar Refractivity | 12.194499999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 174.788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 174.79 g/mol. Edit any field — others recompute live.
