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Molecule
Yttrium Acetate
CAS: 23363-14-6 · C2H4O2Y
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23363-14-6
- Molecular Formula
- C2H4O2Y
- Molecular Mass
- 148.96 g/mol
Identifiers
CAS Registry Number
23363-14-6
SMILES
CC(=O)O.[Y]
InChI Key
DUSUCKWNBGMKRV-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Y/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Yttrium Acetate Common Name
- Acetic acid, yttrium(3+) salt (3:1) Synonym
- Acetic acid, yttrium(3+) salt Synonym
- Yttrium acetate Synonym
- Yttrium triacetate Synonym
- Yttrium(3+) acetate Synonym
- Yttrium(III) acetate Synonym
- Yttrium acetate, Y(OAc)3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.96 g/mol | CAS Common Chemistry |
| 148.95800000000003 g/mol | RDKit | |
| 148.958 g/mol | RDKit | |
| 151.982 g/mol | chempirical lib | |
| Canonical SMILES | [Y].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Y/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=DUSUCKWNBGMKRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Yttrium acetate | 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 |
| 0.0884 | RDKit | |
| Molar Refractivity | 13.309800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 148.926977668 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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 = 148.96 g/mol. Edit any field — others recompute live.
