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| CAS No.: | 94071-09-7 |
|---|---|
| Name: | Bismuth(3+) tris(2-propylvalerate) |
| Molecular Structure: | |
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|
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| Formula: | C24H45BiO6 |
| Molecular Weight: | 638.59088 |
| Synonyms: | Pentanoicacid, 2-propyl-, bismuth(3+) salt (9CI);Pentanoic acid,2-propyl-, bismuth(3+) salt (3:1); |
| EINECS: | 301-809-4 |
| PSA: | 120.39000 |
| LogP: | 2.85810 |
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Chemistry
Molecular Structure of Bismuth(3+) tris(2-propylvalerate) (CAS NO.94071-09-7):
.jpg)
IUPAC Name: Bismuth 2-propylpentanoate
Molecular Weight: 638.59088 [g/mol]
Molecular Formula: C24H45BiO6
H-Bond Donor: 0
H-Bond Acceptor: 6
Rotatable Bond Count: 12
Exact Mass: 638.301997
MonoIsotopic Mass: 638.301997
Topological Polar Surface Area: 120
Heavy Atom Count: 31
Complexity: 87.9
SMILES: CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[BiH3+3]
InChI: InChI=1/3C8H16O2.Bi.3H/c3*1-3-5-7(6-4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.BiH3/c3*1-3-5-7(6-4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3
InChIKey: QJVJVICROBOLGY-YILZRTOHAV
Specification
Bismuth(3+) tris(2-propylvalerate) (CAS NO.94071-09-7), its Synonyms are Tris(2-propylpentanoic acid)bismuth salt ; Pentanoic acid,2-propyl-, bismuth(3+) salt (3:1) ; Pentanoicacid, 2-propyl-, bismuth(3+) salt (9CI) .