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Molecule
Ferric Sulfate Hydrate
CAS: 15244-10-7 · H4FeO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15244-10-7
- Molecular Formula
- H4FeO5S
- Molecular Mass
- 171.94 g/mol
Identifiers
CAS Registry Number
15244-10-7
SMILES
O.O=S(=O)(O)O.[Fe]
InChI Key
HRZKFCSHISLTEI-UHFFFAOYSA-N
InChI
InChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
Names and Synonyms
- Ferric Sulfate Hydrate Synonym
- Sulfuric acid, iron(3+) salt (3:2), hydrate Synonym
- Ferric sulphate hydrate Synonym
- Iron(III) sulfate hydrate Synonym
- Iron sulfate (Fe2(SO4)3) hydrate Synonym
- Ferric sulfate hydrate Synonym
- Sulfuric acid, iron(3+) salt, hydrate (3:2:?) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.94 g/mol | CAS Common Chemistry |
| 171.93899999999996 g/mol | RDKit | |
| 171.939 g/mol | RDKit | |
| 173.948 g/mol | chempirical lib | |
| Canonical SMILES | [Fe].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HRZKFCSHISLTEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferric sulfate hydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
| 106.1 Ų | RDKit | |
| 115.83 Ų | chempirical lib | |
| LogP | -1.48 | RDKit |
| Molar Refractivity | 17.7912 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.912881728 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 171.94 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H4FeO5S.
