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Molecule
Basic Copper Carbonate
CAS: 12069-69-1 · CH2Cu2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12069-69-1
- Molecular Formula
- CH2Cu2O5
- Molecular Mass
- 221.11 g/mol
Identifiers
CAS Registry Number
12069-69-1
SMILES
O=C([O-])[O-].[Cu+2].[Cu+2].[OH-].[OH-]
InChI Key
ZMMDPCMYTCRWFF-UHFFFAOYSA-J
InChI
InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4
Names and Synonyms
- Basic Copper Carbonate Synonym
- Copper, [μ-[carbonato(2-)-κO:κO′]]dihydroxydi- Synonym
- Copper carbonate hydroxide (Cu2(OH)2CO3) Synonym
- Copper, (carbonato)dihydroxydi- Synonym
- Copper, [μ-[carbonato(2-)-O:O′]]dihydroxydi- Synonym
- Carbonic acid, copper complex Synonym
- [μ-[Carbonato(2-)-κO:κO′]]dihydroxydicopper Synonym
- Cheshunt compound Synonym
- Dicopper dihydroxycarbonate Synonym
- Copper basic carbonate Synonym
- Copper hydroxide carbonate (Cu2(OH)2CO3) Synonym
- Basic cupric carbonate Synonym
- Basic copper carbonate Synonym
- Copper carbonate hydroxide [CuCO3.Cu(OH)2] Synonym
- Cupric carbonate, basic Synonym
- Cupric carbonate hydroxide (CuCO3.Cu(OH)2) Synonym
- Basic copper(II) carbonate Synonym
- Cupric carbonate (CuCO3.Cu(OH)2) Synonym
- Basic copper carbonate (Cu2(OH)2CO3) Synonym
- Basic copper carbonate (Cu2(CO3)(OH)2) Synonym
- Carbonic acid, copper(2+) salt (1:1), basic Synonym
- Dicopper(2+) carbonate dihydroxide Synonym
- Carbonatodihydroxodicopper Synonym
- Copper dihydroxide carbonate Synonym
- Copper carbonate hydroxide (Cu2(CO3)(OH)2) Synonym
- [Carbonato(2-)]copper-dihydroxycopper (1:1) Synonym
- Copper(II) hydroxycarbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.11 g/mol | CAS Common Chemistry |
| 221.114 g/mol | RDKit | |
| 227.162 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Basic_copper_carbonate | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Cu]O)O[Cu]O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMMDPCMYTCRWFF-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | 200 °C (decomp) | CAS Common Chemistry |
| Name | Basic copper carbonate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 123.19 Ų | RDKit |
| LogP | -2.8056 | RDKit |
| Molar Refractivity | 9.2676 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 219.84941816399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 221.11 g/mol. Edit any field — others recompute live.
