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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 Weight:
95.05299999999998 g/mol
Names and Synonyms:
Sodium Acrylate
Common Name
Acrylic acid, sodium salt
Synonym
2-Propenoic acid, sodium salt (1:1)
Synonym
Longhai 1240
Synonym
CI 05K
Synonym
Flexisperse 450N
Synonym
Webac 240A1
Synonym
Sodium 2-propenoate
Synonym
Sodium acrylate
Synonym
2-Propenoic acid, sodium salt
Synonym
Identifiers:
SMILES:
C=CC(=O)O.[Na]
InChI:
InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-name | Sodium acrylate None | Legacy Database |
| LogP | -0.12380000000000008 | RDKit |
| molecular_mass | 95.05 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)C=C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5); None | Legacy Database |
| cas-inchi-key | InChIKey=USNWAMPROKAEIT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >300 °C None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.05299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.01089864800001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.586799999999993 | RDKit |