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Calcium Hypophosphite
CAS: 7789-79-9 | H3CaO2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-79-9
Molecular Formula:
H3CaO2P
Molecular Weight:
106.074 g/mol
Names and Synonyms:
Calcium Hypophosphite
CaHP
Calcium phosphinate
Phoslite B 85CX
IP-C
Phoslite IP-C
Calcium hypophosphite
Calcium phosphinate (Ca(H2PO2)2)
Calcium dihydrogen hypophosphite
Calcium hypophosphite (Ca(H2PO2)2)
Phosphinic acid, calcium salt
Phosphinic acid, calcium salt (2:1)
Identifiers:
SMILES:
O=[PH2]O.[Ca]
InChI:
InChI=1S/Ca.H3O2P/c;1-3-2/h;3H2,(H,1,2)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 106.074 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 105.949656946 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7308000000000001 | RDKit |
| molecular_mass | 106.07 g/mol | Legacy Database |
| cas-canonical-smile | [Ca].O=[PH2]O None | Legacy Database |
| cas-inchi | InChI=1S/Ca.H3O2P/c;1-3-2/h;3H2,(H,1,2) None | Legacy Database |
| cas-inchi-key | InChIKey=UYLZTMKRBODTEM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 200 °C (decomp) None | Legacy Database |
| cas-name | Calcium hypophosphite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.3693 | RDKit |
