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Calcium
CAS: 7440-70-2 | Ca
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7440-70-2
Molecular Formula:
Ca
Molecular Weight:
40.078 g/mol
Names and Synonyms:
Calcium
Synonym
Calcium
Synonym
Praval
Synonym
Calcium atom
Synonym
Calcium element
Synonym
Atomic calcium
Synonym
Blood-coagulation factor IV
Synonym
Vivinal MCA 26
Synonym
Aquacal
Synonym
Vistacal
Synonym
ASP 1250
Synonym
Alcaplant
Synonym
Calcium KM
Synonym
T 1-101A
Synonym
Identifiers:
SMILES:
[Ca]
InChI:
InChI=1S/Ca
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 40.078 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 39.96259098 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3808 | RDKit |
| molecular_mass | 40.08 g/mol | Legacy Database |
| density | 1.54 g/cm³ | Legacy Database |
| cas-boiling-point | 1484 °C None | Legacy Database |
| cas-canonical-smile | [Ca] None | Legacy Database |
| cas-density | 1.54 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/Ca None | Legacy Database |
| cas-inchi-key | InChIKey=OYPRJOBELJOOCE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 842 °C None | Legacy Database |
| cas-name | Calcium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |