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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 Mass:
40.08 g/mol
Names and Synonyms:
Calcium
Calcium
Praval
Calcium atom
Calcium element
Atomic calcium
Blood-coagulation factor IV
Vivinal MCA 26
Aquacal
Vistacal
ASP 1250
Alcaplant
Calcium KM
T 1-101A
Identifiers:
SMILES:
[Ca]
InChI:
InChI=1S/Ca
Key Properties
Boiling Point
1484 °C
CAS Common Chemistry
Melting Point
842 °C
CAS Common Chemistry
Density
1.54 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 40.08 g/mol | CAS Common Chemistry |
| 40.078 g/mol | RDKit | |
| 39.96259098 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 1484 °C | CAS Common Chemistry |
| Canonical SMILES | [Ca] | CAS Common Chemistry |
| InChI | InChI=1S/Ca | CAS Common Chemistry |
| InChI Key | InChIKey=OYPRJOBELJOOCE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 842 °C | CAS Common Chemistry |
| Name | Calcium | CAS Common Chemistry |
| Heavy Atom Count | 1 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.3808 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
