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Home > Other Heterocycles > 4066-17-5
4066-17-5 | 9-(4-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CAS No: 4066-17-5 Catalog No: AG0075MU MDL No:
Product Description
Catalog Number:
AG0075MU
Chemical Name:
9-(4-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CAS Number:
4066-17-5
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
IUPAC Name:
9-(4-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
InChI:
InChI=1S/C15H21NO5S/c1-19-13-3-5-14(6-4-13)22(17,18)16-9-7-15(8-10-16)20-11-2-12-21-15/h3-6H,2,7-12H2,1H3
InChI Key:
ASLOBSJSRBLWLV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCCO2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.395g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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