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Dicalcium Phosphate
CAS: 7757-93-9 | H3CaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7757-93-9
Molecular Formula:
H3CaO4P
Molecular Weight:
138.072 g/mol
Names and Synonyms:
Dicalcium Phosphate
Phosphoric acid, calcium salt (1:1)
D.C.P. 340
Calcium dibasic phosphate
Calcium hydrogen phosphate
Dibasic calcium phosphate
Monocalcium acid phosphate
Calcium phosphate (Ca(HPO4))
Calcium phosphate (1:1)
Calcium monohydrogen phosphate
Calcium secondary phosphate
Dicalcium phosphate
Calcium acid phosphate
Calcium hydrogen orthophosphate
Dicalcium orthophosphate
Calcium hydrogen phosphate (CaHPO4)
Calcium orthophosphate (CaHPO4)
Calcium monohydrogen orthophosphate
DCP
Monocalcium phosphate
Calcium phosphate dibasic
Biofos
DCPA
Monohydrogen calcium phosphate
Anhydrous Emcompress
A-Tab
Dicafos AN
Fujicalin S
Ipifosc 20
Fujicalin
Fujicalin SG
Dicafos A
PY-RAN
Kyowaad FM
Heucophos CHP
Kyowaad 10
Daini Rinsan Calcium
Rinsan Suiso Calcium
Bekapress
Monodicalcium phosphate
Kynofos
DI-CAFOS A 60
DiCafos D9
Di-Cafos A150
DICAFOS A12
Identifiers:
SMILES:
O=P(O)(O)O.[Ca]
InChI:
InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.07 g/mol | Legacy Database |
| density | 2.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dicalcium_phosphate None | Legacy Database |
| cas-canonical-smile | [Ca].O=P(O)(O)O None | Legacy Database |
| cas-density | 2.89 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=UUVBYOGFRMMMQL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Calcium hydrogen phosphate None | Legacy Database |
| wikipedia-name | Dicalcium phosphate None | Legacy Database |
| LogP | -1.3094000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.072 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.939486186 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 77.76 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.0169 | RDKit |
