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Bismuth Tris(2-Ethylhexanoate)
CAS: 67874-71-9 | C8H16BiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67874-71-9
Molecular Formula:
C8H16BiO2
Molecular Mass:
353.19 g/mol
Names and Synonyms:
Bismuth Tris(2-Ethylhexanoate)
Hexanoic acid, 2-ethyl-, bismuth(3+) salt (3:1)
Hexanoic acid, 2-ethyl-, bismuth(3+) salt
Bismuth(3+) 2-ethylhexanoate
Bismuth tris(2-ethylhexanoate)
K-KAT 348
Bismuth Hex-Cem
Bi Hex-Cem
BiCAT HM
KK 348
Coscat 28
Pucat 25
Borchi Kat 24
Neostann U 600
U 600
Bicat 8210
Bismuth 2-ethylhexanoate
Kat 24
NEOSTAN U 600
Nacure K-Kat 348
Kat 348
Borchi Kat 324
Bismuth octoate
Identifiers:
SMILES:
CCCCC(CC)C(=O)O.[Bi]
InChI:
InChI=1S/C8H16O2.Bi/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
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 | 353.19 g/mol | CAS Common Chemistry |
| 353.19399999999996 g/mol | RDKit | |
| 353.09542845199996 g/mol | RDKit | |
| Canonical SMILES | [Bi].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Bi/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=NNFNMTHLSPQNHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth tris(2-ethylhexanoate) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9066 | RDKit |
| Molar Refractivity | 46.69580000000002 | RDKit |
