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Molecule
Propanoic Acid, 2,2-Dimethyl-, Zinc Salt (2:1)
CAS: 15827-10-8 · C5H10O2Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15827-10-8
- Molecular Formula
- C5H10O2Zn
- Molecular Mass
- 167.52 g/mol
Identifiers
CAS Registry Number
15827-10-8
SMILES
CC(C)(C)C(=O)O.[Zn]
InChI Key
RGMJDGBMMBIUOX-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2.Zn/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);
Names and Synonyms
- Propanoic Acid, 2,2-Dimethyl-, Zinc Salt (2:1) Synonym
- Propanoic acid, 2,2-dimethyl-, zinc salt (2:1) Synonym
- Pivalic acid, zinc salt Synonym
- Propanoic acid, 2,2-dimethyl-, zinc salt Synonym
- Zinc trimethylacetate Synonym
- Zinc 2,2-dimethylpropanoate Synonym
- Zinc pivalate Synonym
- Zn(OPiv)2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.52 g/mol | CAS Common Chemistry |
| 167.52299999999997 g/mol | RDKit | |
| 167.523 g/mol | RDKit | |
| 169.529 g/mol | chempirical lib | |
| Canonical SMILES | [Zn].O=C(O)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O2.Zn/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=RGMJDGBMMBIUOX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propanoic acid, 2,2-dimethyl-, zinc salt (2:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.1146 | RDKit |
| Molar Refractivity | 27.090799999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 165.99722176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 167.52 g/mol. Edit any field — others recompute live.
