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Sodium Glycolate
CAS: 2836-32-0 | C2H4NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2836-32-0
Molecular Formula:
C2H4NaO3
Molecular Weight:
99.041 g/mol
Names and Synonyms:
Sodium Glycolate
Glycolic acid sodium salt
Hydroxyacetic acid sodium salt
Sodium hydroxyacetate
Sodium α-hydroxyacetate
Sodium glycolate
Acetic acid, hydroxy-, monosodium salt
Glycolic acid, monosodium salt
Acetic acid, 2-hydroxy-, sodium salt (1:1)
Identifiers:
SMILES:
O=C(O)CO.[Na]
InChI:
InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,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 |
|---|---|---|
| molecular_mass | 99.04 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)CO None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5); None | Legacy Database |
| cas-inchi-key | InChIKey=XPUJQEGMNQWMJI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 151 °C None | Legacy Database |
| cas-name | Sodium glycolate None | Legacy Database |
| LogP | -1.3175000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.041 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.005813268 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.475599999999996 | RDKit |
