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Molecule
Chromium Hydroxide Sulfate (Cr(Oh)(So4))
CAS: 12336-95-7 · HCrO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12336-95-7
- Molecular Formula
- HCrO5S
- Molecular Mass
- 165.07 g/mol
Identifiers
CAS Registry Number
12336-95-7
SMILES
O=S(=O)([O-])[O-].[Cr+3].[OH-]
InChI Key
DSHWASKZZBZKOE-UHFFFAOYSA-K
InChI
InChI=1S/Cr.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3
Names and Synonyms
- Chromium Hydroxide Sulfate (Cr(Oh)(So4)) Common Name
- Chromium hydroxide sulfate (Cr(OH)(SO4)) Synonym
- Chromium sulfate (Cr(OH)SO4) Synonym
- Basic chromic sulfate Synonym
- Basic chromium sulfate Synonym
- Monobasic chromium sulfate Synonym
- Sulfuric acid, chromium salt, basic Synonym
- Peachrome Synonym
- Chromedol Synonym
- Neochrome Synonym
- Neochrome (tanning agent) Synonym
- Neochrome R Synonym
- Actan CRM 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.07 g/mol | CAS Common Chemistry |
| 165.066 g/mol | RDKit | |
| 170.099 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)([O-])[O-][Cr+3][OH-] | CAS Common Chemistry |
| InChI | InChI=1S/Cr.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=DSHWASKZZBZKOE-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Chromium hydroxide sulfate (Cr(OH)(SO4)) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.26 Ų | RDKit |
| LogP | -1.5172999999999994 | RDKit |
| -1.5173 | RDKit | |
| Molar Refractivity | 12.410400000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 164.894976632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 165.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula HCrO5S.
