Back to Search
Calcium Methoxide
CAS: 2556-53-8 | CH4CaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2556-53-8
Molecular Formula:
CH4CaO
Molecular Mass:
72.12 g/mol
Names and Synonyms:
Calcium Methoxide
Methanol, calcium salt (2:1)
Methanol, calcium salt
Calcium methoxide
Calcium dimethoxide
AKC 165
Dimethoxycalcium
Identifiers:
SMILES:
CO.[Ca]
InChI:
InChI=1S/CH4O.Ca/c1-2;/h2H,1H3;
Key Properties
Melting Point
>170 °C (decomp)
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 | 72.12 g/mol | CAS Common Chemistry |
| 71.988805728 g/mol | RDKit | |
| Canonical SMILES | [Ca].OC | CAS Common Chemistry |
| InChI | InChI=1S/CH4O.Ca/c1-2;/h2H,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=NVXIEDHPFHVZTC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >170 °C (decomp) | CAS Common Chemistry |
| Name | Calcium methoxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.7723 | RDKit |
| Molar Refractivity | 13.8968 | RDKit |
