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Molecule
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
Identifiers
CAS Registry Number
14404-33-2
SMILES
O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[Ru+3]
InChI Key
SRVGBBZEPHUDFZ-UHFFFAOYSA-I
InChI
InChI=1S/5ClH.2K.H2O.Ru/h5*1H;;;1H2;/q;;;;;2*+1;;+3/p-5
Names and Synonyms
- Ruthenate(2-), Aquapentachloro-, Potassium (1:2), (Oc-6-21)- Systematic Name
- Ruthenate(2-), aquapentachloro-, potassium (1:2), (OC-6-21)- Synonym
- Ruthenate(2-), aquapentachloro-, dipotassium Synonym
- Ruthenate(2-), aquapentachloro-, dipotassium, (OC-6-21)- Synonym
- Dipotassium aquapentachlororuthenate(2-) Synonym
- Dipotassium aquapentachlororuthenate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.55 g/mol | CAS Common Chemistry |
| 374.546 g/mol | RDKit | |
| 384.611 g/mol | chempirical lib | |
| 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 |
| -21.7992 | RDKit | |
| Molar Refractivity | 3.6138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 372.686590744 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 = 374.55 g/mol. Edit any field — others recompute live.
