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Home > Other Heterocycles > 876317-97-4
876317-97-4 | 6,7,10-Trioxaspiro[4.5]decane, 8-[1-(1-naphthalenyl)ethenyl]-
CAS No: 876317-97-4 Catalog No: AG004HVJ MDL No:
Product Description
Catalog Number:
AG004HVJ
Chemical Name:
6,7,10-Trioxaspiro[4.5]decane, 8-[1-(1-naphthalenyl)ethenyl]-
CAS Number:
876317-97-4
Molecular Formula:
C19H20O3
Molecular Weight:
296.3603
IUPAC Name:
8-(1-naphthalen-1-ylethenyl)-6,7,10-trioxaspiro[4.5]decane
InChI:
InChI=1S/C19H20O3/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)18-13-20-19(22-21-18)11-4-5-12-19/h2-3,6-10,18H,1,4-5,11-13H2
InChI Key:
YYNWYOCJEMEDOV-UHFFFAOYSA-N
SMILES:
C=C(c1cccc2c1cccc2)C1COC2(OO1)CCCC2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.366g/mol
Monoisotopic Mass:
296.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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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