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Silver Cyclohexanebutyrate
CAS: 62638-04-4 | C10H18AgO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62638-04-4
Molecular Formula:
C10H18AgO2
Molecular Mass:
278.12 g/mol
Names and Synonyms:
Silver Cyclohexanebutyrate
Cyclohexanebutanoic acid, silver(1+) salt (1:1)
Cyclohexanebutanoic acid, silver(1+) salt
Silver cyclohexanebutyrate
Silver(I) 4-cyclohexylbutanoate
Identifiers:
SMILES:
O=C(O)CCCC1CCCCC1.[Ag]
InChI:
InChI=1S/C10H18O2.Ag/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);
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 | 278.12 g/mol | CAS Common Chemistry |
| 278.11999999999995 g/mol | RDKit | |
| 277.035776816 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 48.061800000000034 | RDKit |
