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Caesium Chromate
CAS: 13454-78-9 | H2CrCs2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13454-78-9
Molecular Formula:
H2CrCs2O4
Molecular Mass:
383.82 g/mol
Names and Synonyms:
Caesium Chromate
Chromic acid (H2CrO4), cesium salt (1:2)
Chromic acid (H2CrO4), dicesium salt
Cesium chromate(VI)
Dicesium chromate
Dicesium chromate (Cs2CrO4)
Cesium chromium oxide (Cs2CrO4)
Cesium chromate
Cesium chromate (Cs2CrO4)
Identifiers:
SMILES:
[Cr+2].[Cs].[Cs].[OH-].[OH-].[O].[O]
InChI:
InChI=1S/Cr.2Cs.2H2O.2O/h;;;2*1H2;;/q+2;;;;;;/p-2
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 | 383.82 g/mol | CAS Common Chemistry |
| 383.8180000000001 g/mol | RDKit | |
| 383.7467198439999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_chromate | CAS Common Chemistry |
| Canonical SMILES | [Cs].O=[Cr](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Cr.2Cs.2H2O.2O/h;;;2*1H2;;/q+2;;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=QNXQVOBIUHNQKW-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Cesium chromate (Cs2CrO4) | CAS Common Chemistry |
| Caesium chromate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.0 Ų | RDKit |
| LogP | -1.3552999999999997 | RDKit |
| Molar Refractivity | 16.7526 | RDKit |
