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Home > Other Heterocycles > 678967-36-7
678967-36-7 | 1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-[1,1'-biphenyl]-4-ylethenyl)-
CAS No: 678967-36-7 Catalog No: AG006I7Y MDL No:
Product Description
Catalog Number:
AG006I7Y
Chemical Name:
1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-[1,1'-biphenyl]-4-ylethenyl)-
CAS Number:
678967-36-7
Molecular Formula:
C22H22O4
Molecular Weight:
350.4077
IUPAC Name:
3-[1-(4-phenylphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecan-9-one
InChI:
InChI=1S/C22H22O4/c1-16(17-7-9-19(10-8-17)18-5-3-2-4-6-18)21-15-24-22(26-25-21)13-11-20(23)12-14-22/h2-10,21H,1,11-15H2
InChI Key:
KMTGCLWODBXVPJ-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)OCC(OO2)C(=C)c1ccc(cc1)c1ccccc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.414g/mol
Monoisotopic Mass:
350.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Orally active 1,2,4-trioxanes: synthesis and antimalarial assessment of a new series of 9-functionalized 3-(1-arylvinyl)-1,2,5-trioxaspiro[5.5]undecanes against multi-drug-resistant plasmodium yoelii nigeriensis in mice. | Journal of medicinal chemistry 20060504 |
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