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Molecule
2-Propanol, Neodymium(3+) Salt
CAS: 19236-15-8 · C3H8NdO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19236-15-8
- Molecular Formula
- C3H8NdO
- Molecular Mass
- 204.34 g/mol
Identifiers
CAS Registry Number
19236-15-8
SMILES
CC(C)O.[Nd]
InChI Key
JIBCRVTUFVJYSB-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Nd/c1-3(2)4;/h3-4H,1-2H3;
Names and Synonyms
- 2-Propanol, Neodymium(3+) Salt Systematic Name
- 2-Propanol, neodymium(3+) salt Synonym
- Isopropyl alcohol, neodymium(3+) salt Synonym
- Neodymium triisopropoxide Synonym
- Neodymium tris(isopropoxide) Synonym
- Triisopropoxyneodymium Synonym
- Neodymium (III) isopropoxide Synonym
- Neodymium isopropoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.34 g/mol | CAS Common Chemistry |
| 204.336 g/mol | RDKit | |
| 207.362 g/mol | chempirical lib | |
| Canonical SMILES | [Nd].OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Nd/c1-3(2)4;/h3-4H,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=JIBCRVTUFVJYSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Propanol, neodymium(3+) salt | CAS Common Chemistry |
| 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 | 20.23 Ų | RDKit |
| LogP | 0.38710000000000006 | RDKit |
| 0.3871 | RDKit | |
| Molar Refractivity | 17.354800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 201.96523817599999 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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140
120
100
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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 = 204.34 g/mol. Edit any field — others recompute live.
