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Ferrous Sulfate, Hydrate
CAS: 13463-43-9 | H4FeO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13463-43-9
Molecular Formula:
H4FeO5S
Molecular Mass:
171.94 g/mol
Names and Synonyms:
Ferrous Sulfate, Hydrate
Sulfuric acid, iron(2+) salt (1:1), hydrate
Ferrous sulfate, hydrate
Iron sulfate (FeSO4) hydrate
Identifiers:
SMILES:
O.O=S(=O)(O)O.[Fe]
InChI:
InChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
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 | 171.94 g/mol | CAS Common Chemistry |
| 171.93899999999996 g/mol | RDKit | |
| 171.912881728 g/mol | RDKit | |
| 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 | Ferrous 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 |
| LogP | -1.48 | RDKit |
| Molar Refractivity | 17.7912 | RDKit |
