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2-Propanol, Neodymium(3+) Salt
CAS: 19236-15-8 | C3H8NdO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19236-15-8
Molecular Formula:
C3H8NdO
Molecular Mass:
204.34 g/mol
Names and Synonyms:
2-Propanol, Neodymium(3+) Salt
2-Propanol, neodymium(3+) salt
Isopropyl alcohol, neodymium(3+) salt
Neodymium triisopropoxide
Neodymium tris(isopropoxide)
Triisopropoxyneodymium
Neodymium (III) isopropoxide
Neodymium isopropoxide
Identifiers:
SMILES:
CC(C)O.[Nd]
InChI:
InChI=1S/C3H8O.Nd/c1-3(2)4;/h3-4H,1-2H3;
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.34 g/mol | CAS Common Chemistry |
| 204.336 g/mol | RDKit | |
| 201.96523817599999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 17.354800000000004 | RDKit |
