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Molecule
Sodium Acrylate
CAS: 7446-81-3 · C3H4NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7446-81-3
- Molecular Formula
- C3H4NaO2
- Molecular Mass
- 95.05 g/mol
Identifiers
CAS Registry Number
7446-81-3
SMILES
C=CC(=O)O.[Na]
InChI Key
USNWAMPROKAEIT-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);
Names and Synonyms
- Sodium Acrylate Common Name
- 2-Propenoic acid, sodium salt (1:1) Synonym
- Acrylic acid, sodium salt Synonym
- 2-Propenoic acid, sodium salt Synonym
- Sodium acrylate Synonym
- Sodium 2-propenoate Synonym
- Webac 240A1 Synonym
- Flexisperse 450N Synonym
- CI 05K Synonym
- Longhai 1240 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 95.05 g/mol | CAS Common Chemistry |
| 95.05299999999998 g/mol | RDKit | |
| 95.053 g/mol | RDKit | |
| 96.061 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=USNWAMPROKAEIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Sodium 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 | 95.01089864800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 95.05 g/mol. Edit any field — others recompute live.
