Back to Search
Pyrophosphoric Acid
CAS: 2466-09-3 | H4O7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2466-09-3
Molecular Formula:
H4O7P2
Molecular Mass:
177.97 g/mol
Names and Synonyms:
Pyrophosphoric Acid
Diphosphoric acid
Pyrophosphoric acid
Diphosphoric acid (H4P2O7)
Identifiers:
SMILES:
O=P(O)(O)OP(=O)(O)O
InChI:
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
Key Properties
Melting Point
61 °C
CAS Common Chemistry
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 | 177.97 g/mol | CAS Common Chemistry |
| 177.973 g/mol | RDKit | |
| 177.94322572800002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pyrophosphoric_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=XPPKVPWEQAFLFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61 °C | CAS Common Chemistry |
| Name | Pyrophosphoric acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| LogP | -0.8116000000000001 | RDKit |
| Molar Refractivity | 25.17319999999999 | RDKit |
