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Calcium Formate
CAS: 544-17-2 | CH2CaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
544-17-2
Molecular Formula:
CH2CaO2
Molecular Weight:
86.10300000000001 g/mol
Names and Synonyms:
Calcium Formate
Common Name
Diformyloxycalcium
Synonym
Hanming HW
Synonym
Mebofix 50
Synonym
Ronasil CF
Synonym
E 328
Synonym
Selbest Accelerator
Synonym
Calcoform
Synonym
Calcium formate (Ca(HCO2)2)
Synonym
Calcium diformate
Synonym
Formic acid, calcium salt
Synonym
Calcium formate
Synonym
Formic acid, calcium salt (2:1)
Synonym
Identifiers:
SMILES:
O=CO.[Ca]
InChI:
InChI=1S/CH2O2.Ca/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.10 g/mol | Legacy Database |
| density | 2.02 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_formate None | Legacy Database |
| cas-canonical-smile | [Ca].O=CO None | Legacy Database |
| cas-density | 2.015 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH2O2.Ca/c2-1-3;/h1H,(H,2,3); None | Legacy Database |
| cas-inchi-key | InChIKey=FVLFCWAFYBQKJS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >300 °C None | Legacy Database |
| cas-name | Calcium formate None | Legacy Database |
| wikipedia-name | Calcium formate None | Legacy Database |
| LogP | -0.6799999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.10300000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.96807028399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.4468 | RDKit |