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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
Synonym
Phosphoric acid, calcium salt (1:1)
Synonym
D.C.P. 340
Synonym
Calcium dibasic phosphate
Synonym
Calcium hydrogen phosphate
Synonym
Dibasic calcium phosphate
Synonym
Monocalcium acid phosphate
Synonym
Calcium phosphate (Ca(HPO4))
Synonym
Calcium phosphate (1:1)
Synonym
Calcium monohydrogen phosphate
Synonym
Calcium secondary phosphate
Synonym
Dicalcium phosphate
Synonym
Calcium acid phosphate
Synonym
Calcium hydrogen orthophosphate
Synonym
Dicalcium orthophosphate
Synonym
Calcium hydrogen phosphate (CaHPO4)
Synonym
Calcium orthophosphate (CaHPO4)
Synonym
Calcium monohydrogen orthophosphate
Synonym
DCP
Synonym
Monocalcium phosphate
Synonym
Calcium phosphate dibasic
Synonym
Biofos
Synonym
DCPA
Synonym
Monohydrogen calcium phosphate
Synonym
Anhydrous Emcompress
Synonym
A-Tab
Synonym
Dicafos AN
Synonym
Fujicalin S
Synonym
Ipifosc 20
Synonym
Fujicalin
Synonym
Fujicalin SG
Synonym
Dicafos A
Synonym
PY-RAN
Synonym
Kyowaad FM
Synonym
Heucophos CHP
Synonym
Kyowaad 10
Synonym
Daini Rinsan Calcium
Synonym
Rinsan Suiso Calcium
Synonym
Bekapress
Synonym
Monodicalcium phosphate
Synonym
Kynofos
Synonym
DI-CAFOS A 60
Synonym
DiCafos D9
Synonym
Di-Cafos A150
Synonym
DICAFOS A12
Synonym
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 |