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Molecule
Manganese Stearate
CAS: 1002-88-6 · C18H36CoO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1002-88-6
- Molecular Formula
- C18H36CoO2
- Molecular Mass
- 343.42 g/mol
Identifiers
CAS Registry Number
1002-88-6
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Co]
InChI Key
CQTIMSWYMCCSIE-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);
Names and Synonyms
- Manganese Stearate Common Name
- Octadecanoic acid, cobalt(2+) salt (2:1) Synonym
- Stearic acid, cobalt(2+) salt Synonym
- Octadecanoic acid, cobalt(2+) salt Synonym
- Cobalt distearate Synonym
- Cobaltous stearate Synonym
- Cobalt(2+) stearate Synonym
- Cobalt(II) stearate Synonym
- Cobalt(2+) octadecanoate Synonym
- Manobond CS 95 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 343.42 g/mol | CAS Common Chemistry |
| 343.4169999999999 g/mol | RDKit | |
| 343.417 g/mol | RDKit | |
| 345.433 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Manganese_stearate | CAS Common Chemistry |
| Canonical SMILES | [Co].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20); | CAS Common Chemistry |
| InChI Key | InChIKey=CQTIMSWYMCCSIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octadecanoic acid, cobalt(2+) salt (2:1) | CAS Common Chemistry |
| Manganese stearate | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 6.330000000000006 | RDKit |
| 6.33 | RDKit | |
| 6.63 | chempirical lib | |
| Molar Refractivity | 87.18180000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 343.204725392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 343.42 g/mol. Edit any field — others recompute live.
