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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.

External Resources

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

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