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Acetic Acid, Zirconium Salt (1:?)
CAS: 7585-20-8 | C2H4O2Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7585-20-8
Molecular Formula:
C2H4O2Zr
Molecular Mass:
151.28 g/mol
Names and Synonyms:
Acetic Acid, Zirconium Salt (1:?)
Acetic acid, zirconium salt (1:?)
Acetic acid, zirconium salt
Zirconium acetate
HTI 9880M
Identifiers:
SMILES:
CC(=O)O.[Zr]
InChI:
InChI=1S/C2H4O2.Zr/c1-2(3)4;/h1H3,(H,3,4);
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 | 151.28 g/mol | CAS Common Chemistry |
| 151.276 g/mol | RDKit | |
| 149.92583376800002 g/mol | RDKit | |
| Canonical SMILES | [Zr].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Zr/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=BNUDRLITYNMTPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acetic acid, zirconium salt (1:?) | 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 | 37.3 Ų | RDKit |
| LogP | 0.08839999999999998 | RDKit |
| Molar Refractivity | 13.309800000000001 | RDKit |
