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Molecule
NSC 127173
CAS: 20661-21-6 · H3InO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20661-21-6
- Molecular Formula
- H3InO3
- Molecular Mass
- 165.84 g/mol
Identifiers
CAS Registry Number
20661-21-6
SMILES
[In+3].[OH-].[OH-].[OH-]
InChI Key
IGUXCTSQIGAGSV-UHFFFAOYSA-K
InChI
InChI=1S/In.3H2O/h;3*1H2/q+3;;;/p-3
Names and Synonyms
- NSC 127173 Synonym
- Indium(Iii) Hydroxide Synonym
- Indium hydroxide (In(OH)3) Synonym
- Indium hydroxide Synonym
- Indium trihydroxide Synonym
- Indium(III) hydroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O[In](O)O | CAS Common Chemistry |
| Molecular Mass | 165.84 g/mol | CAS Common Chemistry |
| 165.83900000000003 g/mol | RDKit | |
| 165.91209695600003 g/mol | RDKit | |
| 171.887 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Indium(III)_hydroxide | CAS Common Chemistry |
| InChI | InChI=1S/In.3H2O/h;3*1H2/q+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=IGUXCTSQIGAGSV-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Indium trihydroxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 90.0 Ų | RDKit |
| LogP | -0.9111999999999998 | RDKit |
| -0.9112 | RDKit | |
| Molar Refractivity | 11.5614 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 165.839 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 165.84 g/mol. Edit any field — others recompute live.
