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Chromium Hydroxide Sulfate (Cr(Oh)(So4))
CAS: 12336-95-7 | HCrO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12336-95-7
Molecular Formula:
HCrO5S
Molecular Mass:
165.07 g/mol
Names and Synonyms:
Chromium Hydroxide Sulfate (Cr(Oh)(So4))
Chromium hydroxide sulfate (Cr(OH)(SO4))
Chromium sulfate (Cr(OH)SO4)
Basic chromic sulfate
Basic chromium sulfate
Monobasic chromium sulfate
Sulfuric acid, chromium salt, basic
Peachrome
Chromedol
Neochrome
Neochrome (tanning agent)
Neochrome R
Actan CRM 1
Identifiers:
SMILES:
O=S(=O)([O-])[O-].[Cr+3].[OH-]
InChI:
InChI=1S/Cr.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3
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 | 165.07 g/mol | CAS Common Chemistry |
| 165.066 g/mol | RDKit | |
| 164.894976632 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 |
| 1 | chempirical lib | |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.26 Ų | RDKit |
| 93.83 Ų | chempirical lib | |
| LogP | -1.5172999999999994 | RDKit |
| -1.5173 | RDKit | |
| -0.11 | chempirical lib | |
| Molar Refractivity | 12.410400000000001 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
Related Molecules
Other compounds with formula HCrO5S
