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Home > Other Heterocycles > 169563-17-1
169563-17-1 | 6,7,10-Trioxaspiro[4.5]decane, 8-(1-phenylethenyl)-
CAS No: 169563-17-1 Catalog No: AG007AIV MDL No:
Product Description
Catalog Number:
AG007AIV
Chemical Name:
6,7,10-Trioxaspiro[4.5]decane, 8-(1-phenylethenyl)-
CAS Number:
169563-17-1
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane
InChI:
InChI=1S/C15H18O3/c1-12(13-7-3-2-4-8-13)14-11-16-15(18-17-14)9-5-6-10-15/h2-4,7-8,14H,1,5-6,9-11H2
InChI Key:
IOZWAIJLDQZLLK-UHFFFAOYSA-N
SMILES:
C=C(c1ccccc1)C1COC2(OO1)CCCC2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 8-(1-Naphthalen-2-yl-vinyl)-6,7,10-trioxaspiro (4.5) decane, a new 1,2,4-trioxane effective against rodent and simian malaria. | Bioorganic & medicinal chemistry letters 20060201 |
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