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Molecule
Copper Pyrophosphate
CAS: 10102-90-6 · H4CuO7P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10102-90-6
- Molecular Formula
- H4CuO7P2
- Molecular Mass
- 241.52 g/mol
Identifiers
CAS Registry Number
10102-90-6
SMILES
O=P(O)(O)OP(=O)(O)O.[Cu]
InChI Key
TYUTWTNPBFAGTL-UHFFFAOYSA-N
InChI
InChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
Names and Synonyms
- Copper Pyrophosphate Synonym
- Diphosphoric acid, copper salt (1:?) Synonym
- Pyrophosphoric acid, copper salt Synonym
- Diphosphoric acid, copper salt Synonym
- Copper pyrophosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.52 g/mol | CAS Common Chemistry |
| 241.519 g/mol | RDKit | |
| 242.527 g/mol | chempirical lib | |
| Density | 4.20 g/cm³ | CAS Common Chemistry |
| 4.2 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Cu].O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=TYUTWTNPBFAGTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1140 °C | CAS Common Chemistry |
| Name | Copper pyrophosphate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.29000000000002 Ų | RDKit |
| 124.29 Ų | RDKit | |
| LogP | -0.8141 | RDKit |
| -0.82 | chempirical lib | |
| Molar Refractivity | 25.17319999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.87282322800002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 241.52 g/mol; density = 4.200 g/mL. Edit any field — others recompute live.
