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Molecule
Calcium Formate
CAS: 544-17-2 · CH2CaO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 544-17-2
- Molecular Formula
- CH2CaO2
- Molecular Mass
- 86.10 g/mol
Identifiers
CAS Registry Number
544-17-2
SMILES
O=CO.[Ca]
InChI Key
FVLFCWAFYBQKJS-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Ca/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Calcium Formate Common Name
- Formic acid, calcium salt (2:1) Synonym
- Calcium formate Synonym
- Formic acid, calcium salt Synonym
- Calcium diformate Synonym
- Calcium formate (Ca(HCO2)2) Synonym
- Calcoform Synonym
- Selbest Accelerator Synonym
- E 328 Synonym
- Ronasil CF Synonym
- Mebofix 50 Synonym
- Hanming HW Synonym
- Diformyloxycalcium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.10 g/mol | CAS Common Chemistry |
| 86.10300000000001 g/mol | RDKit | |
| 86.103 g/mol | RDKit | |
| 88.119 g/mol | chempirical lib | |
| Density | 2.02 g/cm³ | CAS Common Chemistry |
| 2.015 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_formate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Ca/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=FVLFCWAFYBQKJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Calcium formate | 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 |
| -0.68 | RDKit | |
| Molar Refractivity | 14.4468 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 85.96807028399999 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 = 86.10 g/mol; density = 2.020 g/mL. Edit any field — others recompute live.
