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Sodium Succinate Hexahydrate
CAS: 6106-21-4 | C4H18Na2O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6106-21-4
Molecular Formula:
C4H18Na2O10
Molecular Mass:
272.16 g/mol
Names and Synonyms:
Sodium Succinate Hexahydrate
Butanedioic acid, sodium salt, hydrate (1:2:6)
Succinic acid, disodium salt, hexahydrate
Butanedioic acid, disodium salt, hexahydrate
Disodium succinate hexahydrate
Sodium succinate hexahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O=C(O)CCC(=O)O.[Na].[Na]
InChI:
InChI=1S/C4H6O4.2Na.6H2O/c5-3(6)1-2-4(7)8;;;;;;;;/h1-2H2,(H,5,6)(H,7,8);;;6*1H2
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 | 272.16 g/mol | CAS Common Chemistry |
| 272.15799999999996 g/mol | RDKit | |
| 272.069535336 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCC(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O4.2Na.6H2O/c5-3(6)1-2-4(7)8;;;;;;;;/h1-2H2,(H,5,6)(H,7,8);;;6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NEKUCVHZKOTJES-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium succinate hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 263.59999999999997 Ų | RDKit |
| LogP | -5.773999999999995 | RDKit |
| Molar Refractivity | 57.69640000000004 | RDKit |
