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Molecule
Copper Oxalate
CAS: 814-91-5 · C2CuO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 814-91-5
- Molecular Formula
- C2CuO4
- Molecular Mass
- 151.56 g/mol
Identifiers
CAS Registry Number
814-91-5
SMILES
O=C([O-])C(=O)[O-].[Cu+2]
InChI Key
QYCVHILLJSYYBD-UHFFFAOYSA-L
InChI
InChI=1S/C2H2O4.Cu/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
Names and Synonyms
- Copper Oxalate Synonym
- Copper, [ethanedioato(2-)-κO1,κO2]- Synonym
- Oxalic acid, copper(2+) salt (1:1) Synonym
- Copper, [ethanedioato(2-)-O,O′]- Synonym
- Copper oxalate (CuC2O4) Synonym
- [Ethanedioato(2-)-κO1,κO2]copper Synonym
- Cupric oxalate Synonym
- Copper(II) oxalate Synonym
- Cupric oxalate (1:1) Synonym
- Copper(2+) oxalate Synonym
- Copper(2+) oxalate (1:1) Synonym
- Copper oxalate (1:1) Synonym
- Copper oxalate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.56 g/mol | CAS Common Chemistry |
| 151.564 g/mol | RDKit | |
| 154.588 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper_oxalate | CAS Common Chemistry |
| Canonical SMILES | O=C1O[Cu]OC1=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.Cu/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=QYCVHILLJSYYBD-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Copper(II) oxalate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| 80.26 Ų | RDKit | |
| LogP | -3.5163 | RDKit |
| Molar Refractivity | 10.014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 150.90925598 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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 = 151.56 g/mol. Edit any field — others recompute live.
