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Home > Other Heterocycles > 138832-38-9
138832-38-9 | 1,4-Dioxaspiro[4.5]decane, 7-(phenylsulfonyl)-7-(2-propen-1-yl)-
CAS No: 138832-38-9 Catalog No: AG0019NS MDL No:
Product Description
Catalog Number:
AG0019NS
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 7-(phenylsulfonyl)-7-(2-propen-1-yl)-
CAS Number:
138832-38-9
Molecular Formula:
C17H22O4S
Molecular Weight:
322.4192
IUPAC Name:
7-(benzenesulfonyl)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C17H22O4S/c1-2-9-16(22(18,19)15-7-4-3-5-8-15)10-6-11-17(14-16)20-12-13-21-17/h2-5,7-8H,1,6,9-14H2
InChI Key:
WTJAELXOBVKRON-UHFFFAOYSA-N
SMILES:
C=CCC1(CCCC2(C1)OCCO2)S(=O)(=O)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.419g/mol
Monoisotopic Mass:
322.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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