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Molecule
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 Mass
- 138.07 g/mol
Identifiers
CAS Registry Number
7757-93-9
SMILES
O=P(O)(O)O.[Ca]
InChI Key
UUVBYOGFRMMMQL-UHFFFAOYSA-N
InChI
InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.07 g/mol | CAS Common Chemistry |
| 138.072 g/mol | RDKit | |
| 140.088 g/mol | chempirical lib | |
| Density | 2.89 g/cm³ | CAS Common Chemistry |
| 2.89 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dicalcium_phosphate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=UUVBYOGFRMMMQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium hydrogen phosphate | CAS Common Chemistry |
| Dicalcium phosphate | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -1.3094000000000001 | RDKit |
| -1.3094 | RDKit | |
| Molar Refractivity | 20.0169 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.939486186 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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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.
External Resources
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MW = 138.07 g/mol; density = 2.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H3CaO4P.
