Back to Search
Potassium Titanyloxalate
CAS: 14481-26-6 | C4K2O9Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14481-26-6
Molecular Formula:
C4K2O9Ti
Molecular Mass:
318.10 g/mol
Names and Synonyms:
Potassium Titanyloxalate
Titanate(2-), bis[ethanedioato(2-)-κO1,κO2]oxo-, potassium (1:2), (SP-5-21)-
Titanate(2-), bis(oxalato)oxo-, dipotassium
Titanate(2-), bis[ethanedioato(2-)-O,O′]oxo-, dipotassium, (SP-5-21)-
Potassium oxodioxalatotitanate(IV)
Potassium oxalatotitanate(IV)
Titanate(2-), bis[ethanedioato(2-)-κO1,κO2]oxo-, dipotassium, (SP-5-21)-
Potassium titanium oxalate (K2TiO(C2O4)2))
Titanium potassium oxalate
Potassium titanyloxalate
Potassium titanium oxalate
Dipotassium bis(oxalato)oxotitanate(2-)
Dipotassium dioxalatooxotitanate(2-)
Identifiers:
SMILES:
O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[K+].[K+].[O].[Ti+2]
InChI:
InChI=1S/2C2H2O4.2K.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;/q;;2*+1;;+2/p-4
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 | 318.10 g/mol | CAS Common Chemistry |
| 318.098 g/mol | RDKit | |
| 317.82959124 g/mol | RDKit | |
| Canonical SMILES | [K+].O=C1[O-][Ti+2]2(=O)([O-]C1=O)[O-]C(=O)C(=O)[O-]2 | CAS Common Chemistry |
| InChI | InChI=1S/2C2H2O4.2K.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;/q;;2*+1;;+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=UHWHMHPXHWHWPX-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Potassium titanyloxalate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.01999999999998 Ų | RDKit |
| LogP | -13.1409 | RDKit |
| Molar Refractivity | 20.714499999999997 | RDKit |
