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Zirconium N-Propoxide
CAS: 23519-77-9 | C3H8OZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23519-77-9
Molecular Formula:
C3H8OZr
Molecular Weight:
151.32 g/mol
Names and Synonyms:
Zirconium N-Propoxide
Tetrapropyl zirconate (Zr(OC3H7)4)
KBR 33
1-Propyl zirconate
ZA 45
DN 801
Zr 801
Orgatix ZA 45
Z 0017
Zirconium propoxide (Zr(OPr)4)
Tyzor NPZ
Zirconium tetrapropanolate
Vertec NPZ
Tetra-n-propoxyzirconium
Tetra-n-propyl zirconate
Zirconium(IV) propoxide
Zirconium tetrakis(1-propoxide)
Orgatix ZA 40
Tilcom NPZ
Zirconium(IV) n-propoxide
Zirconium(4+) propanolate
Zirconium(4+) propoxide
Zirconium n-propoxide
Zirconic acid propyl ester
Propyl zirconate
Zirconium tetrapropylate
Tetrapropoxyzirconium
Zirconium tetrapropoxide
Zirconium propoxide
1-Propanol, zirconium(4+) salt
Propyl alcohol, zirconium(4+) salt
Tetrapropyl zirconate
1-Propanol, zirconium(4+) salt (4:1)
Identifiers:
SMILES:
CCCO.[Zr]
InChI:
InChI=1S/C3H8O.Zr/c1-2-3-4;/h4H,2-3H2,1H3;
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.32 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database | |
| cas-boiling-point | 208 °C @ Press: 0.1 Torr | Legacy Database | |
| cas-canonical-smile | [Zr].OCCC | Legacy Database | |
| cas-density | 1.050 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C3H8O.Zr/c1-2-3-4;/h4H,2-3H2,1H3; | Legacy Database | |
| cas-inchi-key | InChIKey=RQIHICWHMWNVSA-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Zirconium n-propoxide | Legacy Database | |
| LogP | 0.38620000000000004 | RDKit | |
| Molecular | Molecular Weight | 151.32 g/mol | RDKit |
| Exact | Exact Molecular Weight | 149.96221927599998 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Molar | Molar Refractivity | 17.376800000000003 | RDKit |
