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Molecule
Chromic Acid (H2Cro4), Copper(2+) Salt (1:1)
CAS: 13548-42-0 · H2CrCuO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13548-42-0
- Molecular Formula
- H2CrCuO4
- Molecular Mass
- 181.55 g/mol
Identifiers
CAS Registry Number
13548-42-0
SMILES
[Cr+2].[Cu].[OH-].[OH-].[O].[O]
InChI Key
JYXUPDOLRRBAJI-UHFFFAOYSA-L
InChI
InChI=1S/Cr.Cu.2H2O.2O/h;;2*1H2;;/q+2;;;;;/p-2
Names and Synonyms
- Chromic Acid (H2Cro4), Copper(2+) Salt (1:1) Synonym
- Chromic acid (H2CrO4), copper(2+) salt (1:1) Synonym
- Copper chromate(VI) (CuCrO4) Synonym
- Copper chromate (CuCrO4) Synonym
- Copper chromate Synonym
- Cupric chromate(VI) Synonym
- Chromium copper oxide (CrCuO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.55 g/mol | CAS Common Chemistry |
| 181.554 g/mol | RDKit | |
| 190.626 g/mol | chempirical lib | |
| Canonical SMILES | [Cu].O=[Cr](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Cr.Cu.2H2O.2O/h;;2*1H2;;/q+2;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=JYXUPDOLRRBAJI-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Chromic acid (H2CrO4), copper(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 | 180.865413544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 181.55 g/mol. Edit any field — others recompute live.
