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132353-05-0 | 1,4-Dioxane, 2-[2-(phenylsulfonyl)ethyl]-
CAS No: 132353-05-0 Catalog No: AG0010LG MDL No:
Product Description
Catalog Number:
AG0010LG
Chemical Name:
1,4-Dioxane, 2-[2-(phenylsulfonyl)ethyl]-
CAS Number:
132353-05-0
Molecular Formula:
C12H16O4S
Molecular Weight:
256.3180
IUPAC Name:
2-[2-(benzenesulfonyl)ethyl]-1,4-dioxane
InChI:
InChI=1S/C12H16O4S/c13-17(14,12-4-2-1-3-5-12)9-6-11-10-15-7-8-16-11/h1-5,11H,6-10H2
InChI Key:
FAPNXAXLYRYPEE-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)CCC1OCCOC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.316g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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