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Ruthenate(2-), Aquapentachloro-, Potassium (1:2), (Oc-6-21)-
CAS: 14404-33-2 | H2Cl5K2ORu
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14404-33-2
Molecular Formula:
H2Cl5K2ORu
Molecular Mass:
374.55 g/mol
Names and Synonyms:
Ruthenate(2-), Aquapentachloro-, Potassium (1:2), (Oc-6-21)-
Ruthenate(2-), aquapentachloro-, potassium (1:2), (OC-6-21)-
Ruthenate(2-), aquapentachloro-, dipotassium
Ruthenate(2-), aquapentachloro-, dipotassium, (OC-6-21)-
Dipotassium aquapentachlororuthenate(2-)
Dipotassium aquapentachlororuthenate
Identifiers:
SMILES:
O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[Ru+3]
InChI:
InChI=1S/5ClH.2K.H2O.Ru/h5*1H;;;1H2;/q;;;;;2*+1;;+3/p-5
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 | 374.55 g/mol | CAS Common Chemistry |
| 374.546 g/mol | RDKit | |
| 372.686590744 g/mol | RDKit | |
| Canonical SMILES | [K+].[Cl-][Ru+3]([Cl-])([Cl-])([Cl-])([Cl-])[OH2] | CAS Common Chemistry |
| InChI | InChI=1S/5ClH.2K.H2O.Ru/h5*1H;;;1H2;/q;;;;;2*+1;;+3/p-5 | CAS Common Chemistry |
| InChI Key | InChIKey=SRVGBBZEPHUDFZ-UHFFFAOYSA-I | CAS Common Chemistry |
| Name | Ruthenate(2-), aquapentachloro-, potassium (1:2), (OC-6-21)- | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 31.5 Ų | RDKit |
| LogP | -21.799200000000003 | RDKit |
| Molar Refractivity | 3.6138 | RDKit |
