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Molecule
Copper Formate
CAS: 544-19-4 · CH2CuO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 544-19-4
- Molecular Formula
- CH2CuO2
- Molecular Mass
- 109.57 g/mol
Identifiers
CAS Registry Number
544-19-4
SMILES
O=CO.[Cu]
InChI Key
BJYLNGGDLHKELP-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Cu/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Copper Formate Common Name
- Formic acid, copper(2+) salt (2:1) Synonym
- Formic acid, copper(2+) salt Synonym
- Copper formate Synonym
- Cupric formate Synonym
- Tubercuprose Synonym
- Copper(II) formate Synonym
- Cupric diformate Synonym
- Formic acid copper(2+) salt (1:1) Synonym
- Copper diformate Synonym
- Copper(2+) formate Synonym
- Copper formate (Cu(HCOO)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.57 g/mol | CAS Common Chemistry |
| 109.571 g/mol | RDKit | |
| 110.579 g/mol | chempirical lib | |
| Density | 1.83 g/cm³ | CAS Common Chemistry |
| 1.831 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Cu].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Cu/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=BJYLNGGDLHKELP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper formate | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -0.3016999999999999 | RDKit |
| -0.3017 | RDKit | |
| Molar Refractivity | 8.6928 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 108.935076804 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 109.57 g/mol; density = 1.830 g/mL. Edit any field — others recompute live.
