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Barium
CAS: 7440-39-3 | Ba
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7440-39-3
Molecular Formula:
Ba
Molecular Mass:
137.33 g/mol
Names and Synonyms:
Barium
Barium
Barium element
Identifiers:
SMILES:
[Ba]
InChI:
InChI=1S/Ba
Key Properties
Boiling Point
1897 °C
CAS Common Chemistry
Melting Point
727 °C
CAS Common Chemistry
Density
3.62 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 | 137.33 g/mol | CAS Common Chemistry |
| 137.328 g/mol | RDKit | |
| 137.9052472 g/mol | RDKit | |
| Density | 3.62 g/cm³ | CAS Common Chemistry |
| 3.62 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 1897 °C | CAS Common Chemistry |
| Canonical SMILES | [Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Ba | CAS Common Chemistry |
| InChI Key | InChIKey=DSAJWYNOEDNPEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 727 °C | CAS Common Chemistry |
| Name | Barium | 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 |
