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Formic Acid, Barium Salt
CAS: 541-43-5 | CH2BaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
541-43-5
Molecular Formula:
CH2BaO2
Molecular Mass:
183.35 g/mol
Names and Synonyms:
Formic Acid, Barium Salt
Formic acid, barium salt
Barium formate
Barium diformate
Identifiers:
SMILES:
O=CO.[Ba]
InChI:
InChI=1S/CH2O2.Ba/c2-1-3;/h1H,(H,2,3);
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 | 183.35 g/mol | CAS Common Chemistry |
| 183.353 g/mol | RDKit | |
| 183.910726504 g/mol | RDKit | |
| Canonical SMILES | [Ba].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Ba/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=FRCPHYAXSUSAFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Formic acid, barium salt | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.6799999999999999 | RDKit |
| Molar Refractivity | 14.4468 | RDKit |
