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Disodium Succinate
CAS: 150-90-3 | C4H6Na2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-90-3
Molecular Formula:
C4H6Na2O4
Molecular Mass:
164.07 g/mol
Names and Synonyms:
Disodium Succinate
Butanedioic acid, sodium salt (1:2)
Succinic acid, disodium salt
Butanedioic acid, disodium salt
Disodium succinate
Soduxin
Sodium succinate
SS 50
Identifiers:
SMILES:
O=C(O)CCC(=O)O.[Na].[Na]
InChI:
InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;
Key Properties
Density
1.46 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.07 g/mol | CAS Common Chemistry |
| 164.068 g/mol | RDKit | |
| 164.006147232 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.46 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C(O)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);; | CAS Common Chemistry |
| InChI Key | InChIKey=FKGDSSDAWPLWAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium succinate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.8258000000000001 | RDKit |
| Molar Refractivity | 36.0136 | RDKit |
