Back to Search
Molecule
Sodium Pyruvate
CAS: 113-24-6 · C3H4NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 113-24-6
- Molecular Formula
- C3H4NaO3
- Molecular Mass
- 111.05 g/mol
Identifiers
CAS Registry Number
113-24-6
SMILES
CC(=O)C(=O)O.[Na]
InChI Key
DAQHMCWYXJEOCG-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);
Names and Synonyms
- Sodium Pyruvate Common Name
- Propanoic acid, 2-oxo-, sodium salt (1:1) Synonym
- Pyruvic acid, sodium salt Synonym
- Propanoic acid, 2-oxo-, sodium salt Synonym
- Sodium pyruvate Synonym
- Sodium α-ketopropionate Synonym
- Sodium 2-oxopropanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.05 g/mol | CAS Common Chemistry |
| 111.05199999999998 g/mol | RDKit | |
| 111.052 g/mol | RDKit | |
| 112.06 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_pyruvate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=DAQHMCWYXJEOCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium pyruvate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | -0.7208000000000001 | RDKit |
| -0.7208 | RDKit | |
| Molar Refractivity | 24.070799999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 111.00581326800001 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
Convert
Quick conversion
MW = 111.05 g/mol. Edit any field — others recompute live.
