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Molecule
Silver Cyclohexanebutyrate
CAS: 62638-04-4 · C10H18AgO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 62638-04-4
- Molecular Formula
- C10H18AgO2
- Molecular Mass
- 278.12 g/mol
Identifiers
CAS Registry Number
62638-04-4
SMILES
O=C(O)CCCC1CCCCC1.[Ag]
InChI Key
RILOPSTZZRJOQI-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2.Ag/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);
Names and Synonyms
- Silver Cyclohexanebutyrate Synonym
- Cyclohexanebutanoic acid, silver(1+) salt (1:1) Synonym
- Cyclohexanebutanoic acid, silver(1+) salt Synonym
- Silver cyclohexanebutyrate Synonym
- Silver(I) 4-cyclohexylbutanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.12 g/mol | CAS Common Chemistry |
| 278.11999999999995 g/mol | RDKit | |
| 279.128 g/mol | chempirical lib | |
| Canonical SMILES | [Ag].O=C(O)CCCC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O2.Ag/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=RILOPSTZZRJOQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Silver cyclohexanebutyrate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.8191000000000015 | RDKit |
| 2.8191 | RDKit | |
| Molar Refractivity | 48.061800000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 277.035776816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 278.12 g/mol. Edit any field — others recompute live.
