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89099-38-7 | Piperidine, 1-(5,6,7,8-tetrahydro-2,2-dioxido-1,2-benzoxathiin-4-yl)-
CAS No: 89099-38-7 Catalog No: AG0040EP MDL No:
Product Description
Catalog Number:
AG0040EP
Chemical Name:
Piperidine, 1-(5,6,7,8-tetrahydro-2,2-dioxido-1,2-benzoxathiin-4-yl)-
CAS Number:
89099-38-7
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
IUPAC Name:
4-piperidin-1-yl-5,6,7,8-tetrahydro-1,2λ6-benzoxathiine 2,2-dioxide
InChI:
InChI=1S/C13H19NO3S/c15-18(16)10-12(14-8-4-1-5-9-14)11-6-2-3-7-13(11)17-18/h10H,1-9H2
InChI Key:
ZJWOIMJMXYEMAE-UHFFFAOYSA-N
SMILES:
O=S1(=O)OC2=C(C(=C1)N1CCCCC1)CCCC2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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