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Molecule
Sodium Succinate Hexahydrate
CAS: 6106-21-4 · C4H18Na2O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6106-21-4
- Molecular Formula
- C4H18Na2O10
- Molecular Mass
- 272.16 g/mol
Identifiers
CAS Registry Number
6106-21-4
SMILES
O.O.O.O.O.O.O=C(O)CCC(=O)O.[Na].[Na]
InChI Key
NEKUCVHZKOTJES-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4.2Na.6H2O/c5-3(6)1-2-4(7)8;;;;;;;;/h1-2H2,(H,5,6)(H,7,8);;;6*1H2
Names and Synonyms
- Sodium Succinate Hexahydrate Common Name
- Butanedioic acid, sodium salt, hydrate (1:2:6) Synonym
- Succinic acid, disodium salt, hexahydrate Synonym
- Butanedioic acid, disodium salt, hexahydrate Synonym
- Disodium succinate hexahydrate Synonym
- Sodium succinate hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.16 g/mol | CAS Common Chemistry |
| 272.15799999999996 g/mol | RDKit | |
| 272.158 g/mol | RDKit | |
| 274.174 g/mol | chempirical lib | |
| 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 |
| 263.6 Ų | RDKit | |
| LogP | -5.773999999999995 | RDKit |
| -5.774 | RDKit | |
| Molar Refractivity | 57.69640000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 272.069535336 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 = 272.16 g/mol. Edit any field — others recompute live.
