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Molecule
Potassium Acrylate
CAS: 10192-85-5 · C3H4KO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10192-85-5
- Molecular Formula
- C3H4KO2
- Molecular Mass
- 111.16 g/mol
Identifiers
CAS Registry Number
10192-85-5
SMILES
C=CC(=O)O.[K]
InChI Key
HPKNNSJBWTXMHS-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2.K/c1-2-3(4)5;/h2H,1H2,(H,4,5);
Names and Synonyms
- Potassium Acrylate Synonym
- 2-Propenoic acid, potassium salt (1:1) Synonym
- Acrylic acid, potassium salt Synonym
- 2-Propenoic acid, potassium salt Synonym
- Potassium acrylate Synonym
- Potassium 2-propenoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.16 g/mol | CAS Common Chemistry |
| 111.16099999999999 g/mol | RDKit | |
| 111.161 g/mol | RDKit | |
| 112.169 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2.K/c1-2-3(4)5;/h2H,1H2,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=HPKNNSJBWTXMHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | Potassium acrylate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.12380000000000008 | RDKit |
| -0.1238 | RDKit | |
| Molar Refractivity | 23.586799999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.984836048 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 111.16 g/mol. Edit any field — others recompute live.
