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Sodium Diacetate
CAS: 126-96-5 | C2H4NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
126-96-5
Molecular Formula:
C2H4NaO2
Molecular Mass:
83.04 g/mol
Names and Synonyms:
Sodium Diacetate
Acetic acid, sodium salt (2:1)
Acetic acid, sodium salt, compd. with acetic acid (1:1)
Dykon
Sodium acid acetate
Sodium diacetate
Sodium hydrogen diacetate
Sodium acetate (1:2)
Identifiers:
SMILES:
CC(=O)O.[Na]
InChI:
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);
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 | 83.04 g/mol | CAS Common Chemistry |
| 83.042 g/mol | RDKit | |
| 83.01089864800001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_diacetate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=BDKZHNJTLHOSDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium diacetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2899000000000001 | RDKit |
| Molar Refractivity | 19.063799999999997 | RDKit |
