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Molecule
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
Identifiers
CAS Registry Number
7440-70-2
SMILES
[Ca]
InChI Key
OYPRJOBELJOOCE-UHFFFAOYSA-N
InChI
InChI=1S/Ca
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 40.08 g/mol | CAS Common Chemistry |
| 40.078 g/mol | RDKit | |
| 42.094 g/mol | chempirical lib | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 39.96259098 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
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Quick conversion
MW = 40.08 g/mol; density = 1.540 g/mL. Edit any field — others recompute live.
