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Molecule
Indium(Iii) Selenide
CAS: 12056-07-4 · InSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12056-07-4
- Molecular Formula
- InSe
- Molecular Mass
- 193.78 g/mol
Identifiers
CAS Registry Number
12056-07-4
SMILES
[In].[Se]
InChI Key
NMHFBDQVKIZULJ-UHFFFAOYSA-N
InChI
InChI=1S/In.Se
Names and Synonyms
- Indium(Iii) Selenide Synonym
- Indium selenide (In2Se3) Synonym
- Indium sesquiselenide Synonym
- Diindium triselenide Synonym
- Indium selenide Synonym
- Selanylidene-selanylideneindiganylselanylindigane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.78 g/mol | CAS Common Chemistry |
| 194.82039930000002 g/mol | RDKit | |
| 193.778 g/mol | RDKit | |
| 198.818 g/mol | chempirical lib | |
| Density | 5.00 g/cm³ | CAS Common Chemistry |
| 5.0 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Indium(III)_selenide | CAS Common Chemistry |
| Canonical SMILES | [Se].[In] | CAS Common Chemistry |
| InChI | InChI=1S/In.Se | CAS Common Chemistry |
| InChI Key | InChIKey=NMHFBDQVKIZULJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >900 °C | CAS Common Chemistry |
| Name | Indium selenide (In2Se3) | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.7616 | RDKit |
| Molar Refractivity | 11.508 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.778 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 193.78 g/mol; density = 5.000 g/mL. Edit any field — others recompute live.
