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Home > Other Heterocycles > 81841-89-6
81841-89-6 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-(phenylsulfonyl)-
CAS No: 81841-89-6 Catalog No: AG0050C4 MDL No:
Product Description
Catalog Number:
AG0050C4
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-(phenylsulfonyl)-
CAS Number:
81841-89-6
Molecular Formula:
C14H16O4S
Molecular Weight:
280.3394
IUPAC Name:
8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C14H16O4S/c15-19(16,12-4-2-1-3-5-12)13-6-8-14(9-7-13)17-10-11-18-14/h1-6H,7-11H2
InChI Key:
IWFLOYPQJGPUBC-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1=CCC2(CC1)OCCO2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.338g/mol
Monoisotopic Mass:
280.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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