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Molecule
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 Mass
- 99.04 g/mol
Identifiers
CAS Registry Number
2836-32-0
SMILES
O=C(O)CO.[Na]
InChI Key
XPUJQEGMNQWMJI-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);
Names and Synonyms
- Sodium Glycolate Common Name
- Acetic acid, 2-hydroxy-, sodium salt (1:1) Synonym
- Glycolic acid, monosodium salt Synonym
- Acetic acid, hydroxy-, monosodium salt Synonym
- Sodium glycolate Synonym
- Sodium α-hydroxyacetate Synonym
- Sodium hydroxyacetate Synonym
- Hydroxyacetic acid sodium salt Synonym
- Glycolic acid sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.04 g/mol | CAS Common Chemistry |
| 99.041 g/mol | RDKit | |
| 100.049 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=XPUJQEGMNQWMJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 151 °C | CAS Common Chemistry |
| Name | Sodium glycolate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.3175000000000001 | RDKit |
| -1.3175 | RDKit | |
| Molar Refractivity | 20.475599999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 99.005813268 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 = 99.04 g/mol. Edit any field — others recompute live.
