Back to Search
Molecule
Monocalcium Phosphate
CAS: 7758-23-8 · H3CaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7758-23-8
- Molecular Formula
- H3CaO4P
- Molecular Mass
- 138.07 g/mol
Identifiers
CAS Registry Number
7758-23-8
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
- Monocalcium Phosphate Synonym
- Phosphoric acid, calcium salt (2:1) Synonym
- Acid calcium phosphate Synonym
- Calcium phosphate monobasic Synonym
- Calcium monobasic phosphate Synonym
- Calcium dihydrogen phosphate Synonym
- Calcium hydrogen phosphate (CaH4(PO4)2) Synonym
- Calcium phosphate (CaH4(PO4)2) Synonym
- Calcium tetrahydrogen orthophosphate Synonym
- Monocalcium phosphate [CaH4(PO4)2] Synonym
- Calcium tetrahydrogen phosphate Synonym
- Calcium superphosphate Synonym
- Calcium primary phosphate Synonym
- Calcium bis(dihydrogen phosphate) Synonym
- Calcium biphosphate Synonym
- Calcium dihydrogen orthophosphate Synonym
- Calcium bis(orthophosphate) Synonym
- Monocalcium phosphate Synonym
- Monocalcium dihydrogen phosphate Synonym
- Calcium diorthophosphate Synonym
- Monocalcium phosphate (Ca(H2PO4)2) Synonym
- Calcium phosphate (1:2) Synonym
- Calcium phosphate (Ca(H2PO4)2) Synonym
- Monobasic calcium phosphate Synonym
- Calcium phosphate, primary Synonym
- Calcium hydrogen phosphate (Ca(H2PO4)2) Synonym
- V 90 Synonym
- C 38 (phosphate) Synonym
- C 38 Synonym
- Monocalcium orthophosphate Synonym
- Calcium orthophosphate monobasic Synonym
- HT Monocalcium Phosphate Synonym
- Fabutit 313 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ca].O=P(O)(O)O | CAS Common Chemistry |
| Molecular Mass | 138.07 g/mol | CAS Common Chemistry |
| 138.072 g/mol | RDKit | |
| 140.088 g/mol | chempirical lib | |
| Density | 2.22 g/cm³ | CAS Common Chemistry |
| 2.220 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monocalcium_phosphate | 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 dihydrogen phosphate | CAS Common Chemistry |
| Monocalcium 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
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.
External Resources
Convert
Quick conversion
MW = 138.07 g/mol; density = 2.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H3CaO4P.
