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Home > Other Heterocycles > 81841-91-0
81841-91-0 | 1,4-Dioxaspiro[4.5]dec-6-ene, 8-methyl-8-(phenylsulfonyl)-
CAS No: 81841-91-0 Catalog No: AG0056PR MDL No:
Product Description
Catalog Number:
AG0056PR
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene, 8-methyl-8-(phenylsulfonyl)-
CAS Number:
81841-91-0
Molecular Formula:
C15H18O4S
Molecular Weight:
294.3660
IUPAC Name:
8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C15H18O4S/c1-14(20(16,17)13-5-3-2-4-6-13)7-9-15(10-8-14)18-11-12-19-15/h2-7,9H,8,10-12H2,1H3
InChI Key:
UOANCOBWKQIHQO-UHFFFAOYSA-N
SMILES:
CC1(CCC2(C=C1)OCCO2)S(=O)(=O)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.365g/mol
Monoisotopic Mass:
294.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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