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Sodium Lactate
CAS: 72-17-3 | C3H6NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72-17-3
Molecular Formula:
C3H6NaO3
Molecular Weight:
113.06799999999998 g/mol
Names and Synonyms:
Sodium Lactate
Propanoic acid, 2-hydroxy-, sodium salt (1:1)
Sodium lactate
Lactic acid, monosodium salt
Propanoic acid, 2-hydroxy-, monosodium salt
Lacolin
Lactic acid sodium salt
Per-glycerin
Monosodium lactate
Sodium α-hydroxypropionate
Sodium DL-lactate
Purasal S/SP 60
NSC 31718
E 325
Wilclear
Purasal S
Purasal-Purac Spray 80
Purasal Powder S 98JS
Purasal S/HQ 60
Sodium 2-hydroxypropanoate
S 98JS
Sodium 2-hydroxypropionate
Identifiers:
SMILES:
CC(O)C(=O)O.[Na]
InChI:
InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.06799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.02146333200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.929 | RDKit |
| molecular_mass | 113.07 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_lactate None | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)C(O)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6); None | Legacy Database |
| cas-inchi-key | InChIKey=ZZUUMCMLIPRDPI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | Sodium lactate None | Legacy Database |
| wikipedia-name | Sodium lactate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.070599999999995 | RDKit |
