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Home > Other Heterocycles > 678967-25-4
678967-25-4 | 1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)-
CAS No: 678967-25-4 Catalog No: AG005P3J MDL No:
Product Description
Catalog Number:
AG005P3J
Chemical Name:
1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)-
CAS Number:
678967-25-4
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
3-(1-phenylethenyl)-1,2,5-trioxaspiro[5.5]undecan-9-one
InChI:
InChI=1S/C16H18O4/c1-12(13-5-3-2-4-6-13)15-11-18-16(20-19-15)9-7-14(17)8-10-16/h2-6,15H,1,7-11H2
InChI Key:
RNCHOPIHQYTSCH-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)OCC(OO2)C(=C)c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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