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Butylhydroxyoxostannane
CAS: 2273-43-0 | C4H10O2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2273-43-0
Molecular Formula:
C4H10O2Sn
Molecular Mass:
208.83 g/mol
Names and Synonyms:
Butylhydroxyoxostannane
Stannane, butylhydroxyoxo-
1-Butanestannonic acid
Butanestannonic acid
Butylhydroxyoxostannane
Butylstannonic acid
Butylstannoic acid
Butyltin hydroxide oxide
Butylhydroxytin oxide
n-Butyltin oxide hydroxide
n-Butyltin hydroxide oxide
NSC 96391
Fascat 4100
NSC 179724
Butyl(oxo)stannanol
Butylstannic acid
Fascat 9100
Identifiers:
SMILES:
[CH2]CCC.[OH-].[O].[Sn+]
InChI:
InChI=1S/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1
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 | 208.83 g/mol | CAS Common Chemistry |
| 208.83299999999997 g/mol | RDKit | |
| 209.97027426 g/mol | RDKit | |
| Canonical SMILES | O=[Sn](O)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WIHMDCQAEONXND-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Butylhydroxyoxostannane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.5 Ų | RDKit |
| LogP | 0.94419 | RDKit |
| Molar Refractivity | 28.641299999999987 | RDKit |
