Back to Search
Disodium Malonate
CAS: 141-95-7 | C3H4Na2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-95-7
Molecular Formula:
C3H4Na2O4
Molecular Weight:
150.041 g/mol
Names and Synonyms:
Disodium Malonate
Propanedioic acid, sodium salt (1:2)
Malonic acid, disodium salt
Propanedioic acid, disodium salt
Disodium malonate
Sodium malonate
Identifiers:
SMILES:
O=C(O)CC(=O)O.[Na].[Na]
InChI:
InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;
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
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 150.041 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 149.99049716800002 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 9 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 2 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 74.6 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -1.2159 | RDKit |
molecular_mass | 150.04 g/mol | Legacy Database |
density | 2.08 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Disodium_malonate None | Legacy Database |
cas-canonical-smile | [Na].O=C(O)CC(=O)O None | Legacy Database |
cas-density | 2.08 g/cm3 None | Legacy Database |
cas-inchi | InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);; None | Legacy Database |
cas-inchi-key | InChIKey=SXJCWCGNPYHALZ-UHFFFAOYSA-N None | Legacy Database |
cas-name | Sodium malonate None | Legacy Database |
wikipedia-name | Disodium malonate None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 31.396599999999992 | RDKit |