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Copper, [Ethanedioato(2-)-Κo1,Κo2]-, Hydrate (2:1)
CAS: 5893-66-3 | C2H2CuO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5893-66-3
Molecular Formula:
C2H2CuO5
Molecular Mass:
169.58 g/mol
Names and Synonyms:
Copper, [Ethanedioato(2-)-Κo1,Κo2]-, Hydrate (2:1)
Copper, [ethanedioato(2-)-κO1,κO2]-, hydrate (2:1)
Copper, [ethanedioato(2-)-O,O′]-, hydrate (2:1)
Copper oxalate (CuC2O4) hemihydrate
Copper(2+) oxalate hemihydrate
Cupric oxalate hemihydrate
Identifiers:
SMILES:
O.O=C([O-])C(=O)[O-].[Cu+2]
InChI:
InChI=1S/C2H2O4.Cu.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2
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 | 169.58 g/mol | CAS Common Chemistry |
| 169.579 g/mol | RDKit | |
| 168.91982066399999 g/mol | RDKit | |
| Canonical SMILES | O=C1O[Cu]OC1=O.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.Cu.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OCDUIJZBRQQGHA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Copper, [ethanedioato(2-)-κO1,κO2]-, hydrate (2:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.75999999999999 Ų | RDKit |
| LogP | -4.340999999999999 | RDKit |
| Molar Refractivity | 13.627799999999999 | RDKit |
