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Molecule
Dynafos
CAS: 10103-46-5 · H3CaO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10103-46-5
- Molecular Formula
- H3CaO4P
- Molecular Mass
- 138.07 g/mol
Identifiers
CAS Registry Number
10103-46-5
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
- Dynafos Synonym
- Phosphoric acid, calcium salt (1:?) Synonym
- Phosphoric acid, calcium salt Synonym
- Dikal 21 Synonym
- KDV 15u Synonym
- Dynafos Synonym
- Man-Gill 51504 Synonym
- LF-CP-ZA Synonym
- Calcium phosphate Synonym
- Crodax DP 30 Synonym
- E 341 Synonym
- HAP 05NP Synonym
- HAP 60NPG Synonym
- Mekaru P Synonym
- Mecahl P Synonym
- Toppufuro K Synonym
- Budal MW 500 Synonym
- Halox 430 Synonym
- Osteon GBC0305 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 | |
| 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 | Dynafos | 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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4
3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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
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MW = 138.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H3CaO4P.
