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Home > Other Heterocycles > 81841-92-1
81841-92-1 | 1,4-Dioxaspiro[4.5]dec-6-ene, 8-(phenylsulfonyl)-8-(2-propenyl)-
CAS No: 81841-92-1 Catalog No: AG005HTY MDL No:
Product Description
Catalog Number:
AG005HTY
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene, 8-(phenylsulfonyl)-8-(2-propenyl)-
CAS Number:
81841-92-1
Molecular Formula:
C17H20O4S
Molecular Weight:
320.4033
IUPAC Name:
8-(benzenesulfonyl)-8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C17H20O4S/c1-2-8-16(22(18,19)15-6-4-3-5-7-15)9-11-17(12-10-16)20-13-14-21-17/h2-7,9,11H,1,8,10,12-14H2
InChI Key:
XQWDTDCOYPGTSQ-UHFFFAOYSA-N
SMILES:
C=CCC1(CCC2(C=C1)OCCO2)S(=O)(=O)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.108g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.403g/mol
Monoisotopic Mass:
320.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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