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Molecule
Chromic Acid (H2Cro4), Cobalt(2+) Salt (1:1)
CAS: 13455-25-9 · H2CoCrO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13455-25-9
- Molecular Formula
- H2CoCrO4
- Molecular Mass
- 176.94 g/mol
Identifiers
CAS Registry Number
13455-25-9
SMILES
[Co].[Cr+2].[OH-].[OH-].[O].[O]
InChI Key
GXDKCOSPLCNIND-UHFFFAOYSA-L
InChI
InChI=1S/Co.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2
Names and Synonyms
- Chromic Acid (H2Cro4), Cobalt(2+) Salt (1:1) Synonym
- Chromic acid (H2CrO4), cobalt(2+) salt (1:1) Synonym
- Cobalt chromate(VI) (CrCoO4) Synonym
- Cobalt chromate (CoCrO4) Synonym
- Cobaltous chromate Synonym
- Cobalt chromate Synonym
- Chromium cobalt oxide (CrCoO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.94 g/mol | CAS Common Chemistry |
| 176.941 g/mol | RDKit | |
| 187.021 g/mol | chempirical lib | |
| Canonical SMILES | [Co].O=[Cr](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Co.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GXDKCOSPLCNIND-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Chromic acid (H2CrO4), cobalt(2+) salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -0.5962 | RDKit |
| Molar Refractivity | 5.2446 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 176.86901104400002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 176.94 g/mol. Edit any field — others recompute live.
