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Ferric Hydroxide
CAS: 1309-33-7 | H3FeO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1309-33-7
Molecular Formula:
H3FeO3
Molecular Weight:
106.86599999999997 g/mol
Names and Synonyms:
Ferric Hydroxide
Hydrous iron (III) oxide
Ferric trihydroxide
Iron(3+) trihydroxide
Iron(3+) hydroxide
Iron trihydroxide
Ferric hydroxide
Iron(III) hydroxide
Hydrated iron sesquioxide
Ferric hydroxide gel
Iron hydroxide (Fe(OH)3)
Identifiers:
SMILES:
[Fe+3].[OH-].[OH-].[OH-]
InChI:
InChI=1S/Fe.3H2O/h;3*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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 106.87 g/mol | Legacy Database |
| cas-canonical-smile | O[Fe](O)O None | Legacy Database |
| cas-inchi | InChI=1S/Fe.3H2O/h;3*1H2/q+3;;;/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=MSNWSDPPULHLDL-UHFFFAOYSA-K None | Legacy Database |
| cas-name | Ferric hydroxide None | Legacy Database |
| LogP | -0.5328999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 106.86599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 106.94315645600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 90.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.8074 | RDKit |
