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Sodium Acetate Trihydrate
CAS: 6131-90-4 | C2H10NaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6131-90-4
Molecular Formula:
C2H10NaO5
Molecular Mass:
137.09 g/mol
Names and Synonyms:
Sodium Acetate Trihydrate
Acetic acid, sodium salt, hydrate (1:1:3)
Acetic acid, sodium salt, trihydrate
Sodium acetate trihydrate
Identifiers:
SMILES:
CC(=O)O.O.O.O.[Na]
InChI:
InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2
Key Properties
Melting Point
57.9 °C
CAS Common Chemistry
Density
1.45 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 | 137.09 g/mol | CAS Common Chemistry |
| 137.08700000000002 g/mol | RDKit | |
| 137.04259270000003 g/mol | RDKit | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.45 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UCRNFUVTKPHVJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57.9 °C | CAS Common Chemistry |
| Name | Sodium acetate trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 131.8 Ų | RDKit |
| LogP | -2.7640000000000002 | RDKit |
| Molar Refractivity | 29.905199999999994 | RDKit |
