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Molecule
Indium Acetate
CAS: 25114-58-3 · C2H4InO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25114-58-3
- Molecular Formula
- C2H4InO2
- Molecular Mass
- 174.87 g/mol
Identifiers
CAS Registry Number
25114-58-3
SMILES
CC(=O)O.[In]
InChI Key
LGHOYKSQIQISBI-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.In/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Indium Acetate Common Name
- Acetic acid, indium(3+) salt (3:1) Synonym
- Acetic acid, indium(3+) salt Synonym
- Indium acetate Synonym
- Indium triacetate Synonym
- Indium(III) acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [In].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.In/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=LGHOYKSQIQISBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Indium acetate | CAS Common Chemistry |
| Molecular Mass | 174.87 g/mol | RDKit |
| 174.92500736800002 g/mol | RDKit | |
| 177.894 g/mol | chempirical lib | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2899000000000001 | RDKit |
| -0.2899 | RDKit | |
| Molar Refractivity | 19.063799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 174.87 g/mol | CAS Common Chemistry |
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
160
140
120
100
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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.
External Resources
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MW = 174.87 g/mol. Edit any field — others recompute live.
