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Cobalt(Ii) Carbonate
CAS: 513-79-1 | CH2CoO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
513-79-1
Molecular Formula:
CH2CoO3
Molecular Weight:
120.95700000000001 g/mol
Names and Synonyms:
Cobalt(Ii) Carbonate
Cobalt monocarbonate
Cobalt(2+) carbonate
Cobalt carbonate (1:1)
Cobalt(2+) carbonate (CoCO3)
Cobaltous carbonate
C.I. 77353
Cobalt carbonate (CoCO3)
Carbonic acid, cobalt(2+) salt (1:1)
Identifiers:
SMILES:
O=C(O)O.[Co]
InChI:
InChI=1S/CH2O3.Co/c2-1(3)4;/h(H2,2,3,4);
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 | 120.96 g/mol | Legacy Database |
| density | 4.20 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cobalt(II)_carbonate None | Legacy Database |
| cas-canonical-smile | [Co].O=C(O)O None | Legacy Database |
| cas-density | 4.2 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Co/c2-1(3)4;/h(H2,2,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=ZJRWDIJRKKXMNW-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cobalt carbonate (CoCO3) None | Legacy Database |
| wikipedia-name | Cobalt(II) carbonate None | Legacy Database |
| LogP | 0.21989999999999998 | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.93358892399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.6536 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.95700000000001 g/mol | RDKit |
